smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc([N-]C(=O)c2ccc(Cl)nn2)c([N+](=O)[O-])c1 ZINC000096601100 185384275 /nfs/dbraw/zinc/38/42/75/185384275.db2.gz XLPWMEYXUMFTDJ-UHFFFAOYSA-N -1 3 303.665 2.162 10 30 DEEEHM CN([O-])C(=O)c1cnc(Br)c(Br)c1 ZINC000307417073 356408645 /nfs/dbraw/zinc/40/86/45/356408645.db2.gz LLTSSWIOFVLEEP-UHFFFAOYSA-N -1 3 309.945 2.068 10 30 DEEEHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673930 192310871 /nfs/dbraw/zinc/31/08/71/192310871.db2.gz CGOUROCZQTWFJR-XCBNKYQSSA-N -1 3 320.201 2.359 10 30 DEEEHM Cc1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)ccc1C#N ZINC000618601903 363544725 /nfs/dbraw/zinc/54/47/25/363544725.db2.gz KIGAJEHEBPBUPN-UHFFFAOYSA-N -1 3 312.354 2.315 10 30 DEEEHM N#Cc1cccnc1-n1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000192530940 145075014 /nfs/dbraw/zinc/07/50/14/145075014.db2.gz FVEWQJRXEDDHTD-UHFFFAOYSA-N -1 3 313.302 2.247 10 30 DEEEHM Cc1cc(=O)[n-]c(N=NC(C)CCc2ccc3c(c2)OCO3)n1 ZINC000097991094 402133731 /nfs/dbraw/zinc/13/37/31/402133731.db2.gz ABBNTMOBFUWULO-GRSHGNNSSA-N -1 3 314.345 2.228 10 30 DEEEHM O=C(N[O-])[C@@H]1CC(c2ccc(OCc3ccccc3)cc2)=NO1 ZINC000103254167 402183073 /nfs/dbraw/zinc/18/30/73/402183073.db2.gz NXVZYEJQVDIBNN-INIZCTEOSA-N -1 3 312.325 2.264 10 30 DEEEHM COC(=O)c1coc(C(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1 ZINC000185067562 402321870 /nfs/dbraw/zinc/32/18/70/402321870.db2.gz GLXFQOOEUZKVPI-UHFFFAOYSA-N -1 3 316.317 2.142 10 30 DEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCCO2)c1 ZINC000160800000 402361201 /nfs/dbraw/zinc/36/12/01/402361201.db2.gz IRUHHRQPLKLLLS-LLVKDONJSA-N -1 3 314.794 2.059 10 30 DEEEHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000285286294 403280218 /nfs/dbraw/zinc/28/02/18/403280218.db2.gz JVEDBUAZUVWZNA-AWEZNQCLSA-N -1 3 320.439 2.364 10 30 DEEEHM C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])C1 ZINC000633062272 406369676 /nfs/dbraw/zinc/36/96/76/406369676.db2.gz UJSXTPAXGUNPPE-NWDGAFQWSA-N -1 3 317.389 2.223 10 30 DEEEHM N#Cc1cc([N-]S(=O)(=O)c2ccc(N)c(F)c2)ccc1F ZINC000131004709 196131488 /nfs/dbraw/zinc/13/14/88/196131488.db2.gz AGTJDJGWHGNJII-UHFFFAOYSA-N -1 3 309.297 2.219 10 30 DEEEHM N#C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCN1C1CC1 ZINC000376882651 227176756 /nfs/dbraw/zinc/17/67/56/227176756.db2.gz UGIXFJGOIYTHTL-INIZCTEOSA-N -1 3 321.380 2.358 10 30 DEEEHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)C#N)s1 ZINC000542713678 341018751 /nfs/dbraw/zinc/01/87/51/341018751.db2.gz VZXNUMGCGDQDOZ-UHFFFAOYSA-N -1 3 323.237 2.400 10 30 DEEEHM O=C1CNC(=O)N1Cc1ccc(/N=C/c2ccccc2[O-])cc1 ZINC000032765445 527012712 /nfs/dbraw/zinc/01/27/12/527012712.db2.gz STNIBDCTUTXKCH-GIJQJNRQSA-N -1 3 309.325 2.195 10 30 DEEEHM C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ncccc1[O-] ZINC000805781991 643248709 /nfs/dbraw/zinc/24/87/09/643248709.db2.gz FTJNBXLVPYYADK-OAHLLOKOSA-N -1 3 309.369 2.221 10 30 DEEEHM N#Cc1cc(F)cc(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000720023593 1089426400 /nfs/dbraw/zinc/42/64/00/1089426400.db2.gz YMRLKRZCAIAWSB-UHFFFAOYSA-N -1 3 310.272 2.318 10 30 DEEEHM NCC#Cc1ccsc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000148648060 186045767 /nfs/dbraw/zinc/04/57/67/186045767.db2.gz JDDZWPPOUFMDKH-UHFFFAOYSA-N -1 3 320.801 2.347 10 30 DEEEHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1C#N)c1nccs1 ZINC000080276847 192020409 /nfs/dbraw/zinc/02/04/09/192020409.db2.gz OEFOGISRNGPFLN-SNVBAGLBSA-N -1 3 307.400 2.195 10 30 DEEEHM CCCOC(=O)c1ccc([N-]N=C(C#N)C(=O)OCC)cc1 ZINC000059449509 184139121 /nfs/dbraw/zinc/13/91/21/184139121.db2.gz AITDYVUZQYEYRS-QGOAFFKASA-N -1 3 303.318 2.108 10 30 DEEEHM Cn1ccnc1-c1noc([N-]Cc2c(F)cc(C#N)cc2F)n1 ZINC000192746798 145078599 /nfs/dbraw/zinc/07/85/99/145078599.db2.gz VSPMHPIDWAHNOW-UHFFFAOYSA-N -1 3 316.271 2.232 10 30 DEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nccs1 ZINC000078004522 401838027 /nfs/dbraw/zinc/83/80/27/401838027.db2.gz WMGKDXSJYFCEDX-GFCCVEGCSA-N -1 3 307.400 2.444 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)s1 ZINC000230338624 402350943 /nfs/dbraw/zinc/35/09/43/402350943.db2.gz YQCPLEXHPPQZCQ-STQMWFEESA-N -1 3 304.396 2.454 10 30 DEEEHM COc1ccc(C(=O)NCCOc2ccc(C#N)cc2)c([O-])c1 ZINC000173894297 402717671 /nfs/dbraw/zinc/71/76/71/402717671.db2.gz IJWFNNCANJJENN-UHFFFAOYSA-N -1 3 312.325 2.081 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000289141869 403848855 /nfs/dbraw/zinc/84/88/55/403848855.db2.gz WKGHHEMCYXNZMP-JTQLQIEISA-N -1 3 314.382 2.275 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291456143 404386123 /nfs/dbraw/zinc/38/61/23/404386123.db2.gz CZNHCGZGOMMDNY-JTQLQIEISA-N -1 3 303.362 2.123 10 30 DEEEHM C=CCn1c(=O)[n-]nc1SCc1cc(C(=O)OC)oc1C ZINC000532103618 406044993 /nfs/dbraw/zinc/04/49/93/406044993.db2.gz DKFICYKLVFSXLQ-UHFFFAOYSA-N -1 3 309.347 2.150 10 30 DEEEHM Cc1ccc(-c2nnc(NC(=O)Cc3cccc(C#N)c3)[n-]2)o1 ZINC000531936722 268023156 /nfs/dbraw/zinc/02/31/56/268023156.db2.gz OMZCESFDHGILMT-UHFFFAOYSA-N -1 3 307.313 2.426 10 30 DEEEHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cccc(C#N)c3)n2)o1 ZINC000531936722 268023157 /nfs/dbraw/zinc/02/31/57/268023157.db2.gz OMZCESFDHGILMT-UHFFFAOYSA-N -1 3 307.313 2.426 10 30 DEEEHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(C#N)c3)n[n-]2)o1 ZINC000531936722 268023158 /nfs/dbraw/zinc/02/31/58/268023158.db2.gz OMZCESFDHGILMT-UHFFFAOYSA-N -1 3 307.313 2.426 10 30 DEEEHM C=CC[C@H](CC)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000374156699 527159739 /nfs/dbraw/zinc/15/97/39/527159739.db2.gz DBSNCZLGYSOGFE-ZFWWWQNUSA-N -1 3 316.401 2.468 10 30 DEEEHM C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000193121183 527630917 /nfs/dbraw/zinc/63/09/17/527630917.db2.gz WQGJHNZHTQNWRZ-HNNXBMFYSA-N -1 3 314.385 2.197 10 30 DEEEHM C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3[O-])cc2C1=O ZINC000078269100 355250466 /nfs/dbraw/zinc/25/04/66/355250466.db2.gz IRLATNODVFWTJD-UHFFFAOYSA-N -1 3 322.320 2.427 10 30 DEEEHM CC(C#N)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000043517919 183369660 /nfs/dbraw/zinc/36/96/60/183369660.db2.gz DBGZOZKFMGVUOV-YFKPBYRVSA-N -1 3 308.142 2.377 10 30 DEEEHM COC(=O)c1c(C)nc(=O)[n-]c1SCC#Cc1ccccc1 ZINC000191735541 533660310 /nfs/dbraw/zinc/66/03/10/533660310.db2.gz IRKCZCWKDZZZKZ-UHFFFAOYSA-N -1 3 314.366 2.009 10 30 DEEEHM Cn1cc(C#N)cc1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000176132520 402281892 /nfs/dbraw/zinc/28/18/92/402281892.db2.gz JOWXCADPRXLCIL-UHFFFAOYSA-N -1 3 310.292 2.073 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCCO2)c(Cl)c1 ZINC000169270507 402501092 /nfs/dbraw/zinc/50/10/92/402501092.db2.gz FBYLZJYNUBNJSP-LLVKDONJSA-N -1 3 314.794 2.059 10 30 DEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000178508029 402505148 /nfs/dbraw/zinc/50/51/48/402505148.db2.gz VFSYNHYIJXDNMK-UHFFFAOYSA-N -1 3 310.375 2.280 10 30 DEEEHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000295195574 403792613 /nfs/dbraw/zinc/79/26/13/403792613.db2.gz MBVWGJJKIPLQAB-UHFFFAOYSA-N -1 3 306.309 2.486 10 30 DEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000350011634 404294407 /nfs/dbraw/zinc/29/44/07/404294407.db2.gz MPTJVKUTVXLAEQ-LLVKDONJSA-N -1 3 313.350 2.096 10 30 DEEEHM C=C(C)CS(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)OCC ZINC000357435374 404734502 /nfs/dbraw/zinc/73/45/02/404734502.db2.gz LRZGZEPSIDKILX-LBPRGKRZSA-N -1 3 305.440 2.240 10 30 DEEEHM CC(C)(C#N)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000541782469 406301006 /nfs/dbraw/zinc/30/10/06/406301006.db2.gz VVCDFEZVDRUYFX-UHFFFAOYSA-N -1 3 307.400 2.391 10 30 DEEEHM CN1CCC(C#N)(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527451944 406632964 /nfs/dbraw/zinc/63/29/64/406632964.db2.gz VFCIYEYHJJGHRR-UHFFFAOYSA-N -1 3 309.369 2.263 10 30 DEEEHM N#CCc1ccc([N-]S(=O)(=O)c2ccc(N)c(F)c2)cc1 ZINC000131004073 196132030 /nfs/dbraw/zinc/13/20/30/196132030.db2.gz LONQCFPYOWQSCM-UHFFFAOYSA-N -1 3 305.334 2.275 10 30 DEEEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C#N)c(F)cc1F ZINC000408421968 227234026 /nfs/dbraw/zinc/23/40/26/227234026.db2.gz DFXSUGAHLABFQE-SKDRFNHKSA-N -1 3 300.330 2.244 10 30 DEEEHM C[C@H]1CCc2nc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)sc2C1 ZINC000328925676 279773425 /nfs/dbraw/zinc/77/34/25/279773425.db2.gz OKNADASBFMGTFB-XPUUQOCRSA-N -1 3 308.363 2.499 10 30 DEEEHM C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133045960 282006426 /nfs/dbraw/zinc/00/64/26/282006426.db2.gz DVMSKCXRVCKWCQ-NSHDSACASA-N -1 3 314.316 2.487 10 30 DEEEHM NS(=O)(=O)c1ccc(C/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000255423823 624704349 /nfs/dbraw/zinc/70/43/49/624704349.db2.gz CDWIMTMNEAKWNZ-MFOYZWKCSA-N -1 3 324.789 2.312 10 30 DEEEHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1N ZINC000088188791 185241270 /nfs/dbraw/zinc/24/12/70/185241270.db2.gz FOPRSXAMZPIBOA-UHFFFAOYSA-N -1 3 322.777 2.298 10 30 DEEEHM Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000083763240 192381653 /nfs/dbraw/zinc/38/16/53/192381653.db2.gz LGHVSEXXMOXMMP-GFCCVEGCSA-N -1 3 303.325 2.274 10 30 DEEEHM CN(C)c1ccc(C(=O)NCCCCCCCC(=O)N[O-])cc1 ZINC000003872982 353992436 /nfs/dbraw/zinc/99/24/36/353992436.db2.gz NMUMGBKBHOJAQD-UHFFFAOYSA-N -1 3 321.421 2.328 10 30 DEEEHM O=C(CCCC1CCN(C(=O)Cc2ccccc2)CC1)N[O-] ZINC000071317706 354897549 /nfs/dbraw/zinc/89/75/49/354897549.db2.gz BTBHLVARBASTIO-UHFFFAOYSA-N -1 3 304.390 2.143 10 30 DEEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000594790648 358337361 /nfs/dbraw/zinc/33/73/61/358337361.db2.gz VRUBMICBAGOFHD-STQMWFEESA-N -1 3 305.403 2.366 10 30 DEEEHM C=CCOCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000594850503 358348724 /nfs/dbraw/zinc/34/87/24/358348724.db2.gz QILSDTPRGZEXOF-UHFFFAOYSA-N -1 3 314.794 2.083 10 30 DEEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000622135093 364676261 /nfs/dbraw/zinc/67/62/61/364676261.db2.gz WTIUISRGTZPFSK-CJNGLKHVSA-N -1 3 316.401 2.373 10 30 DEEEHM COc1ccc(C(=O)N2CCC(C#N)(SC)CC2)c([O-])c1 ZINC000091472123 193061494 /nfs/dbraw/zinc/06/14/94/193061494.db2.gz HSFLSKZXKKVFNN-UHFFFAOYSA-N -1 3 306.387 2.262 10 30 DEEEHM C=CC[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000160253080 197395745 /nfs/dbraw/zinc/39/57/45/197395745.db2.gz DOFWZPMVYFBQMA-VIFPVBQESA-N -1 3 302.252 2.246 10 30 DEEEHM C=CCOc1cccc(NC(=O)[N-]OCCCC(=O)OC)c1 ZINC000289646186 403989754 /nfs/dbraw/zinc/98/97/54/403989754.db2.gz LDEDGKDEXACZLG-UHFFFAOYSA-N -1 3 308.334 2.258 10 30 DEEEHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1cccc(C)c1 ZINC000348141002 404044718 /nfs/dbraw/zinc/04/47/18/404044718.db2.gz CTQSTZRNRWCSAM-UHFFFAOYSA-N -1 3 304.375 2.209 10 30 DEEEHM CC(=O)Nc1ccn([C@@H]2CCN(Cc3nc(C)ccc3[O-])C2)n1 ZINC000328623390 404117660 /nfs/dbraw/zinc/11/76/60/404117660.db2.gz JAWKAXWQWQUYHA-CYBMUJFWSA-N -1 3 315.377 2.347 10 30 DEEEHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000451808229 405045102 /nfs/dbraw/zinc/04/51/02/405045102.db2.gz IWDHHCJQLCMNCK-UHFFFAOYSA-N -1 3 314.363 2.094 10 30 DEEEHM C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])C1 ZINC000633062271 406370022 /nfs/dbraw/zinc/37/00/22/406370022.db2.gz UJSXTPAXGUNPPE-NEPJUHHUSA-N -1 3 317.389 2.223 10 30 DEEEHM C#CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000129207844 196029784 /nfs/dbraw/zinc/02/97/84/196029784.db2.gz DBEJPOYLKBFAEM-ZETCQYMHSA-N -1 3 307.202 2.266 10 30 DEEEHM C#CC[C@H](CC)[N-]S(=O)(=O)c1ccc(CNCC(C)C)o1 ZINC000133223808 196322353 /nfs/dbraw/zinc/32/23/53/196322353.db2.gz SJGPSCLOOZAGCR-ZDUSSCGKSA-N -1 3 312.435 2.105 10 30 DEEEHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000408340666 227232597 /nfs/dbraw/zinc/23/25/97/227232597.db2.gz OYURJYQXTSBLPA-WPRPVWTQSA-N -1 3 302.758 2.450 10 30 DEEEHM C#CCCOc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000735407691 633507669 /nfs/dbraw/zinc/50/76/69/633507669.db2.gz MSIIITPVNQZDHC-UHFFFAOYSA-N -1 3 311.389 2.161 10 30 DEEEHM C#CCCOc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000735407691 633507673 /nfs/dbraw/zinc/50/76/73/633507673.db2.gz MSIIITPVNQZDHC-UHFFFAOYSA-N -1 3 311.389 2.161 10 30 DEEEHM CC1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CC(F)(F)C1 ZINC000720978132 1085234946 /nfs/dbraw/zinc/23/49/46/1085234946.db2.gz QGMBIRSNVMNTIG-UHFFFAOYSA-N -1 3 306.359 2.333 10 30 DEEEHM Cc1cccc(C(=O)NCc2sccc2C#CCO)c1[O-] ZINC000148535746 186044998 /nfs/dbraw/zinc/04/49/98/186044998.db2.gz RMUPJPVHLCXQLX-UHFFFAOYSA-N -1 3 301.367 2.036 10 30 DEEEHM N#Cc1ccc(CNC(=O)c2cc(F)cc3nn[n-]c32)c(F)c1 ZINC000617918681 363307103 /nfs/dbraw/zinc/30/71/03/363307103.db2.gz IFEKAUIPINIBME-UHFFFAOYSA-N -1 3 313.267 2.038 10 30 DEEEHM N#Cc1ccc(CNC(=O)c2cc(F)cc3[n-]nnc32)c(F)c1 ZINC000617918681 363307111 /nfs/dbraw/zinc/30/71/11/363307111.db2.gz IFEKAUIPINIBME-UHFFFAOYSA-N -1 3 313.267 2.038 10 30 DEEEHM N#Cc1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)c(F)c1 ZINC000617918681 363307118 /nfs/dbraw/zinc/30/71/18/363307118.db2.gz IFEKAUIPINIBME-UHFFFAOYSA-N -1 3 313.267 2.038 10 30 DEEEHM Nc1ccc(NC(=O)N2CCC(CCCC(=O)N[O-])CC2)cc1 ZINC000230562626 356283787 /nfs/dbraw/zinc/28/37/87/356283787.db2.gz LMXCZMYBKFGUTP-UHFFFAOYSA-N -1 3 320.393 2.188 10 30 DEEEHM C=C(C)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OC ZINC000601788081 360150538 /nfs/dbraw/zinc/15/05/38/360150538.db2.gz POQLSFQPPAWRJR-AWEZNQCLSA-N -1 3 323.364 2.478 10 30 DEEEHM CCSC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000158956920 197314185 /nfs/dbraw/zinc/31/41/85/197314185.db2.gz SSKQJGVEFJBNDE-VIFPVBQESA-N -1 3 302.396 2.117 10 30 DEEEHM C=CCCCN(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000076492410 401796327 /nfs/dbraw/zinc/79/63/27/401796327.db2.gz ZQDKIEPHVRTAHT-UHFFFAOYSA-N -1 3 301.390 2.221 10 30 DEEEHM CN1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccccc1 ZINC000248937443 402615572 /nfs/dbraw/zinc/61/55/72/402615572.db2.gz NLERYCPQCDFHEB-FUHWJXTLSA-N -1 3 321.380 2.439 10 30 DEEEHM Cc1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1[O-] ZINC000183665717 402787193 /nfs/dbraw/zinc/78/71/93/402787193.db2.gz IMFJAXMAQQUNAQ-UHFFFAOYSA-N -1 3 319.324 2.405 10 30 DEEEHM Cn1c2cc([O-])c(NC(=O)[C@H]3CCCSC3)cc2n(C)c1=O ZINC000329679788 404420249 /nfs/dbraw/zinc/42/02/49/404420249.db2.gz WDDRFFCTUIPNGX-VIFPVBQESA-N -1 3 321.402 2.314 10 30 DEEEHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435430741 404979824 /nfs/dbraw/zinc/97/98/24/404979824.db2.gz FIMMJMHSCIWDQB-ZDUSSCGKSA-N -1 3 322.411 2.286 10 30 DEEEHM CCc1nc(C(=O)Nc2ccc(Br)cc2C#N)n[n-]1 ZINC000132775381 196282168 /nfs/dbraw/zinc/28/21/68/196282168.db2.gz IJNKCBIMYMUESH-UHFFFAOYSA-N -1 3 320.150 2.254 10 30 DEEEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188346556 225016940 /nfs/dbraw/zinc/01/69/40/225016940.db2.gz QLOBZFIBSVKKDM-KRWDZBQOSA-N -1 3 323.396 2.167 10 30 DEEEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CC[C@@H](CC#N)C3)cn21 ZINC000333121124 226102020 /nfs/dbraw/zinc/10/20/20/226102020.db2.gz GNQXVCKTZQHQQR-AVGNSLFASA-N -1 3 322.434 2.141 10 30 DEEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000805147318 639841420 /nfs/dbraw/zinc/84/14/20/639841420.db2.gz IVXDJMMQUGMBPW-GFCCVEGCSA-N -1 3 314.338 2.060 10 30 DEEEHM C[C@@H]1CCC[C@H](C)N1[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000147789894 186041955 /nfs/dbraw/zinc/04/19/55/186041955.db2.gz HUUZRLAIKYSLIA-PHIMTYICSA-N -1 3 311.382 2.154 10 30 DEEEHM O=C(NCc1sccc1C#CCCO)c1cccc([O-])c1 ZINC000148605641 186044922 /nfs/dbraw/zinc/04/49/22/186044922.db2.gz HQKASTLTBIVQTK-UHFFFAOYSA-N -1 3 301.367 2.118 10 30 DEEEHM Cn1nnc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc21 ZINC000183451703 356172853 /nfs/dbraw/zinc/17/28/53/356172853.db2.gz LOPUBQLOYQYNGL-LLVKDONJSA-N -1 3 316.324 2.335 10 30 DEEEHM Cn1ccnc1CC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188703493 200291280 /nfs/dbraw/zinc/29/12/80/200291280.db2.gz AJLNTLUMARQAMZ-UHFFFAOYSA-N -1 3 324.384 2.092 10 30 DEEEHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610032619 361354295 /nfs/dbraw/zinc/35/42/95/361354295.db2.gz OKHXHPZLHFEJDB-UHFFFAOYSA-N -1 3 312.354 2.315 10 30 DEEEHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ncccc3C#N)c2)n1 ZINC000185987660 402395048 /nfs/dbraw/zinc/39/50/48/402395048.db2.gz AWCKBMIRUOTLRG-UHFFFAOYSA-N -1 3 321.300 2.494 10 30 DEEEHM N#Cc1cccc(S(=O)(=O)[N-]c2c(N)cc(F)cc2F)c1 ZINC000132312407 196244843 /nfs/dbraw/zinc/24/48/43/196244843.db2.gz GHVBGDHBXNZSKY-UHFFFAOYSA-N -1 3 309.297 2.219 10 30 DEEEHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000407996496 227226138 /nfs/dbraw/zinc/22/61/38/227226138.db2.gz FMVARWNKXXWSBX-UFBFGSQYSA-N -1 3 302.758 2.450 10 30 DEEEHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cccc([O-])c2)n1 ZINC000358380370 424823423 /nfs/dbraw/zinc/82/34/23/424823423.db2.gz PMWLKQFJYYCZNX-UHFFFAOYSA-N -1 3 322.299 2.841 10 30 DEEEHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000408340646 303167571 /nfs/dbraw/zinc/16/75/71/303167571.db2.gz OWYMGQLSJXDXRF-RDDDGLTNSA-N -1 3 304.293 2.074 10 30 DEEEHM C=CC[C@@H](CO)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188104539 527098808 /nfs/dbraw/zinc/09/88/08/527098808.db2.gz MXLGZUTVOXWOPA-QMMMGPOBSA-N -1 3 311.794 2.458 10 30 DEEEHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000341189740 527187714 /nfs/dbraw/zinc/18/77/14/527187714.db2.gz MNVOVOSCWQIEQY-JTQLQIEISA-N -1 3 321.801 2.250 10 30 DEEEHM N#Cc1c(F)cccc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000702470780 1086436626 /nfs/dbraw/zinc/43/66/26/1086436626.db2.gz GIITXAUAIGZELW-UHFFFAOYSA-N -1 3 300.330 2.258 10 30 DEEEHM C[C@H](C#N)CN(C)c1cc2c(cc1Br)C(=O)C(=O)[N-]2 ZINC000092773397 185339723 /nfs/dbraw/zinc/33/97/23/185339723.db2.gz KKJQRDFTBLNMST-SSDOTTSWSA-N -1 3 322.162 2.180 10 30 DEEEHM C=CCOCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594849432 358347807 /nfs/dbraw/zinc/34/78/07/358347807.db2.gz AYKGGSDTNIHOLW-UHFFFAOYSA-N -1 3 314.794 2.083 10 30 DEEEHM C=CC[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000628484230 366863852 /nfs/dbraw/zinc/86/38/52/366863852.db2.gz HOOWTYHCOIRNDF-LBPRGKRZSA-N -1 3 308.403 2.096 10 30 DEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000622179836 364691764 /nfs/dbraw/zinc/69/17/64/364691764.db2.gz PWAJBPMWDXXALN-OKILXGFUSA-N -1 3 301.390 2.441 10 30 DEEEHM Cc1ccc(NC(=N)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1C ZINC000006694363 181371068 /nfs/dbraw/zinc/37/10/68/181371068.db2.gz IBVHUEHXBVTTQS-UHFFFAOYSA-N -1 3 311.389 2.324 10 30 DEEEHM N#CCc1ccc(S(=O)(=O)[N-]c2cc(N)ccc2F)cc1 ZINC000092130545 193166081 /nfs/dbraw/zinc/16/60/81/193166081.db2.gz AVQGYZMICMRSMD-UHFFFAOYSA-N -1 3 305.334 2.275 10 30 DEEEHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCCO1 ZINC000156392395 197109578 /nfs/dbraw/zinc/10/95/78/197109578.db2.gz SUECFGAWJSSPOK-CABZTGNLSA-N -1 3 314.794 2.057 10 30 DEEEHM Nc1ncnc(N=NCc2c([O-])ccc3ccccc32)c1[N+](=O)[O-] ZINC000005446937 401729440 /nfs/dbraw/zinc/72/94/40/401729440.db2.gz DONNLSITUBUQQE-FBCYGCLPSA-N -1 3 324.300 2.272 10 30 DEEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000160880813 402364119 /nfs/dbraw/zinc/36/41/19/402364119.db2.gz QLUFCBFYPDSYCC-SNVBAGLBSA-N -1 3 300.767 2.123 10 30 DEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000186653517 402451475 /nfs/dbraw/zinc/45/14/75/402451475.db2.gz UXABJYSLAMMQAN-SECBINFHSA-N -1 3 310.202 2.209 10 30 DEEEHM C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000184463185 402845562 /nfs/dbraw/zinc/84/55/62/402845562.db2.gz AFMDROYRMMJCPY-CQSZACIVSA-N -1 3 316.401 2.279 10 30 DEEEHM C=C(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452719641 405232887 /nfs/dbraw/zinc/23/28/87/405232887.db2.gz CFXNSXIGOZDWGU-CQSZACIVSA-N -1 3 302.374 2.079 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000425182161 405255003 /nfs/dbraw/zinc/25/50/03/405255003.db2.gz YYHXTGLNFAHSTP-CABZTGNLSA-N -1 3 319.785 2.349 10 30 DEEEHM C=CCCC(C)(C)CNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000633965462 405933518 /nfs/dbraw/zinc/93/35/18/405933518.db2.gz UKYWHPRYWBJMMO-UHFFFAOYSA-N -1 3 304.390 2.231 10 30 DEEEHM N#Cc1ccccc1CS(=O)(=O)[N-]c1c(N)cccc1F ZINC000132324805 196245796 /nfs/dbraw/zinc/24/57/96/196245796.db2.gz VCZLSCGXORFJBK-UHFFFAOYSA-N -1 3 305.334 2.221 10 30 DEEEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CC[C@@H](CC#N)C3)cn21 ZINC000333121120 226101940 /nfs/dbraw/zinc/10/19/40/226101940.db2.gz GNQXVCKTZQHQQR-AGIUHOORSA-N -1 3 322.434 2.141 10 30 DEEEHM N#Cc1c(Cl)cccc1N1CC[C@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600881092 425047792 /nfs/dbraw/zinc/04/77/92/425047792.db2.gz VSZYUJKXKNFRFP-VIFPVBQESA-N -1 3 315.764 2.283 10 30 DEEEHM C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133046134 282006389 /nfs/dbraw/zinc/00/63/89/282006389.db2.gz DVMSKCXRVCKWCQ-LLVKDONJSA-N -1 3 314.316 2.487 10 30 DEEEHM C=CCCCS(=O)(=O)[N-][C@H](c1ccccc1F)[C@H](C)O ZINC000519822995 335898162 /nfs/dbraw/zinc/89/81/62/335898162.db2.gz JCFYSIZPIXNYEW-FZMZJTMJSA-N -1 3 301.383 2.133 10 30 DEEEHM C=CC[C@@H](CC)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000374156697 527049142 /nfs/dbraw/zinc/04/91/42/527049142.db2.gz DBSNCZLGYSOGFE-HIFRSBDPSA-N -1 3 316.401 2.468 10 30 DEEEHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720020423 1089423149 /nfs/dbraw/zinc/42/31/49/1089423149.db2.gz AQOFYEWFLYXFNV-SSDOTTSWSA-N -1 3 310.272 2.317 10 30 DEEEHM CC(C)OCCS(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000088547278 185257261 /nfs/dbraw/zinc/25/72/61/185257261.db2.gz FRNXWUPOLIEHOD-UHFFFAOYSA-N -1 3 302.783 2.378 10 30 DEEEHM C=CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](C)COC ZINC000617575798 363192814 /nfs/dbraw/zinc/19/28/14/363192814.db2.gz FJTFDIJQSWOYFA-LBPRGKRZSA-N -1 3 300.358 2.191 10 30 DEEEHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)CN1CC(=O)[N-]C1=O ZINC000329387182 539919654 /nfs/dbraw/zinc/91/96/54/539919654.db2.gz STEWWAMJCCLXIF-LLVKDONJSA-N -1 3 303.318 2.086 10 30 DEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nccs1 ZINC000080276797 192020279 /nfs/dbraw/zinc/02/02/79/192020279.db2.gz RLWJEVDVCPXTNV-LLVKDONJSA-N -1 3 307.400 2.444 10 30 DEEEHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673936 192310772 /nfs/dbraw/zinc/31/07/72/192310772.db2.gz CGOUROCZQTWFJR-XVKPBYJWSA-N -1 3 320.201 2.359 10 30 DEEEHM C=C(C)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OC ZINC000601788082 360150535 /nfs/dbraw/zinc/15/05/35/360150535.db2.gz POQLSFQPPAWRJR-CQSZACIVSA-N -1 3 323.364 2.478 10 30 DEEEHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(N)c1 ZINC000094187772 193347580 /nfs/dbraw/zinc/34/75/80/193347580.db2.gz VMGGSIPELDOOBF-QMMMGPOBSA-N -1 3 318.196 2.075 10 30 DEEEHM CN(Cc1cc(C#CCO)cs1)C(=O)c1ccccc1[O-] ZINC000042400863 183264094 /nfs/dbraw/zinc/26/40/94/183264094.db2.gz ZTHBUEJFUYEMGY-UHFFFAOYSA-N -1 3 301.367 2.070 10 30 DEEEHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C#CCN)c2)s1 ZINC000109436233 194262680 /nfs/dbraw/zinc/26/26/80/194262680.db2.gz SNMJRCBBZRGGES-UHFFFAOYSA-N -1 3 320.439 2.476 10 30 DEEEHM Cc1cccc(C[N-]S(=O)(=O)c2cccc(C)c2C#N)n1 ZINC000156632400 197128997 /nfs/dbraw/zinc/12/89/97/197128997.db2.gz RBOIGHYWQNNLSG-UHFFFAOYSA-N -1 3 301.371 2.049 10 30 DEEEHM Cc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000156632685 197129135 /nfs/dbraw/zinc/12/91/35/197129135.db2.gz HGKLREGIQMEMCY-UHFFFAOYSA-N -1 3 321.789 2.394 10 30 DEEEHM C=CC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116987947 401866752 /nfs/dbraw/zinc/86/67/52/401866752.db2.gz GHMHJXNRNZFODE-TZMCWYRMSA-N -1 3 302.374 2.078 10 30 DEEEHM N#Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1F ZINC000090371524 401981607 /nfs/dbraw/zinc/98/16/07/401981607.db2.gz SRAPCJIVMNDDHQ-UHFFFAOYSA-N -1 3 312.226 2.412 10 30 DEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000186656061 402452476 /nfs/dbraw/zinc/45/24/76/402452476.db2.gz UUOYDAUQLHKNHS-QMMMGPOBSA-N -1 3 310.202 2.209 10 30 DEEEHM C#CCCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000288081889 403721223 /nfs/dbraw/zinc/72/12/23/403721223.db2.gz JXKKMDJMURIAJN-UHFFFAOYSA-N -1 3 306.309 2.182 10 30 DEEEHM C=C(CC)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000456814046 405578376 /nfs/dbraw/zinc/57/83/76/405578376.db2.gz SOYLMDDBLUAZBG-AWEZNQCLSA-N -1 3 302.374 2.079 10 30 DEEEHM C=CCOCCCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636318969 405887228 /nfs/dbraw/zinc/88/72/28/405887228.db2.gz HISFSCPOPIRHDD-UHFFFAOYSA-N -1 3 305.378 2.049 10 30 DEEEHM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000563225744 406059459 /nfs/dbraw/zinc/05/94/59/406059459.db2.gz REOWUJLAQBLICU-UHFFFAOYSA-N -1 3 323.418 2.351 10 30 DEEEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328658863 225782041 /nfs/dbraw/zinc/78/20/41/225782041.db2.gz RUXDEXDBGKJHGC-APPZFPTMSA-N -1 3 305.313 2.496 10 30 DEEEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328658863 225782047 /nfs/dbraw/zinc/78/20/47/225782047.db2.gz RUXDEXDBGKJHGC-APPZFPTMSA-N -1 3 305.313 2.496 10 30 DEEEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328658863 225782051 /nfs/dbraw/zinc/78/20/51/225782051.db2.gz RUXDEXDBGKJHGC-APPZFPTMSA-N -1 3 305.313 2.496 10 30 DEEEHM CC(=O)N(C)c1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000745977573 638302681 /nfs/dbraw/zinc/30/26/81/638302681.db2.gz XROZOKVKDRPTLR-UHFFFAOYSA-N -1 3 313.357 2.321 10 30 DEEEHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCN1C1CCOCC1 ZINC000747863415 638485402 /nfs/dbraw/zinc/48/54/02/638485402.db2.gz BKYCPSIWENIFJD-XKYMITNMSA-N -1 3 322.792 2.244 10 30 DEEEHM N#Cc1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000706490123 1086639654 /nfs/dbraw/zinc/63/96/54/1086639654.db2.gz VYWKEOWDEFLBAK-QMMMGPOBSA-N -1 3 304.293 2.021 10 30 DEEEHM Nc1ccccc1NC(=O)N1CCC(CCCC(=O)N[O-])CC1 ZINC000036475795 354165114 /nfs/dbraw/zinc/16/51/14/354165114.db2.gz WYQSYGCBIBLHNO-UHFFFAOYSA-N -1 3 320.393 2.188 10 30 DEEEHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1nccs1 ZINC000080276830 192019757 /nfs/dbraw/zinc/01/97/57/192019757.db2.gz LIFLWJGSNRITCP-MRVPVSSYSA-N -1 3 311.363 2.193 10 30 DEEEHM CC(C)OCCS(=O)(=O)[N-]C1(C#N)CCCCCCC1 ZINC000093666036 193287821 /nfs/dbraw/zinc/28/78/21/193287821.db2.gz ZJSLNHVIVQVKHV-UHFFFAOYSA-N -1 3 302.440 2.337 10 30 DEEEHM CC(C#N)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000043517921 183369482 /nfs/dbraw/zinc/36/94/82/183369482.db2.gz DBGZOZKFMGVUOV-RXMQYKEDSA-N -1 3 308.142 2.377 10 30 DEEEHM C=CC[C@H](CO)NCc1ccc(OC)c([O-])c1Br ZINC000273881950 211141853 /nfs/dbraw/zinc/14/18/53/211141853.db2.gz XPFJXELVZFIASA-SNVBAGLBSA-N -1 3 316.195 2.190 10 30 DEEEHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000355510523 133030756 /nfs/dbraw/zinc/03/07/56/133030756.db2.gz KEUINEAUYZYWOO-JGPRNRPPSA-N -1 3 314.432 2.102 10 30 DEEEHM C=CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116987943 401866663 /nfs/dbraw/zinc/86/66/63/401866663.db2.gz GHMHJXNRNZFODE-JSGCOSHPSA-N -1 3 302.374 2.078 10 30 DEEEHM C=CCn1c(=O)[n-]nc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351829742 403947579 /nfs/dbraw/zinc/94/75/79/403947579.db2.gz OIPVCGYIIZIZBQ-UHFFFAOYSA-N -1 3 322.346 2.379 10 30 DEEEHM C#CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(CNC(C)(C)C)o1 ZINC000133223188 196322808 /nfs/dbraw/zinc/32/28/08/196322808.db2.gz OZOJJUHHLQXMQU-GFCCVEGCSA-N -1 3 312.435 2.248 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000545929722 341146802 /nfs/dbraw/zinc/14/68/02/341146802.db2.gz PYJHLVPZVIEXIE-APPDUMDISA-N -1 3 315.373 2.282 10 30 DEEEHM C=CCCCCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000566479197 341559354 /nfs/dbraw/zinc/55/93/54/341559354.db2.gz YFGWDLJGRZHIOR-UHFFFAOYSA-N -1 3 323.374 2.491 10 30 DEEEHM CCCn1c(=O)[n-]nc1SCc1ccc(OC)c(C#N)c1 ZINC000087833754 535580545 /nfs/dbraw/zinc/58/05/45/535580545.db2.gz LEISHXQCYLYJAI-UHFFFAOYSA-N -1 3 304.375 2.154 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)s1 ZINC000619547080 363822432 /nfs/dbraw/zinc/82/24/32/363822432.db2.gz JTIJEKWWSKIGRB-UHFFFAOYSA-N -1 3 302.764 2.345 10 30 DEEEHM CS[C@@H](C)CC[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000158548753 197282901 /nfs/dbraw/zinc/28/29/01/197282901.db2.gz CZXAQEWPPJZSGM-VIFPVBQESA-N -1 3 302.396 2.117 10 30 DEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000186668000 402453622 /nfs/dbraw/zinc/45/36/22/402453622.db2.gz GCMJHKMGSPTRMK-MRVPVSSYSA-N -1 3 310.202 2.209 10 30 DEEEHM C=CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436797737 405140420 /nfs/dbraw/zinc/14/04/20/405140420.db2.gz PCUUSCONGCECCS-CQSZACIVSA-N -1 3 302.374 2.079 10 30 DEEEHM C=C[C@@](C)(CCOC)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319995 405886916 /nfs/dbraw/zinc/88/69/16/405886916.db2.gz AOMHAYRCTJXAHE-KRWDZBQOSA-N -1 3 319.405 2.295 10 30 DEEEHM C=CCCC(C)(C)CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000633965114 405933500 /nfs/dbraw/zinc/93/35/00/405933500.db2.gz YSJVFLCPAFSOCU-UHFFFAOYSA-N -1 3 300.358 2.292 10 30 DEEEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C#N)c(F)cc1F ZINC000408421966 227234434 /nfs/dbraw/zinc/23/44/34/227234434.db2.gz DFXSUGAHLABFQE-CABZTGNLSA-N -1 3 300.330 2.244 10 30 DEEEHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000408339992 303159725 /nfs/dbraw/zinc/15/97/25/303159725.db2.gz MSOCTTVDNOPEOY-KWQFWETISA-N -1 3 302.758 2.450 10 30 DEEEHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000542709394 341018524 /nfs/dbraw/zinc/01/85/24/341018524.db2.gz LJJNSXUKWYVXQW-UHFFFAOYSA-N -1 3 321.171 2.169 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccoc1 ZINC000052747225 625302421 /nfs/dbraw/zinc/30/24/21/625302421.db2.gz AADOCJQTMCHLRH-UHFFFAOYSA-N -1 3 300.314 2.132 10 30 DEEEHM COc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1C#N ZINC000746513961 638351862 /nfs/dbraw/zinc/35/18/62/638351862.db2.gz OWGOGKNMLZCZMJ-DJKKODMXSA-N -1 3 311.341 2.087 10 30 DEEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000594790646 358337581 /nfs/dbraw/zinc/33/75/81/358337581.db2.gz VRUBMICBAGOFHD-OLZOCXBDSA-N -1 3 305.403 2.366 10 30 DEEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000622135094 364676272 /nfs/dbraw/zinc/67/62/72/364676272.db2.gz WTIUISRGTZPFSK-CZUORRHYSA-N -1 3 316.401 2.373 10 30 DEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1COc2ccccc21 ZINC000156906832 197148944 /nfs/dbraw/zinc/14/89/44/197148944.db2.gz NTIGHTDWTHIXEF-ZDUSSCGKSA-N -1 3 318.329 2.109 10 30 DEEEHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000116906052 401864274 /nfs/dbraw/zinc/86/42/74/401864274.db2.gz JHNRAZOFLIALEB-VIFPVBQESA-N -1 3 317.794 2.370 10 30 DEEEHM Cc1cccc(-n2nnc3c2C(=N[O-])c2ccccc2C3=O)c1 ZINC000254291841 402670376 /nfs/dbraw/zinc/67/03/76/402670376.db2.gz ATDGLJXHVDFUTC-UHFFFAOYSA-N -1 3 304.309 2.347 10 30 DEEEHM COc1cc(Cl)cc(CN2CCN(C3CC3)[C@@H](C#N)C2)c1[O-] ZINC000360348906 404825726 /nfs/dbraw/zinc/82/57/26/404825726.db2.gz YIQDEGHMKPMXDH-AWEZNQCLSA-N -1 3 321.808 2.226 10 30 DEEEHM C=CCC1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCOCC1 ZINC000424726581 405160513 /nfs/dbraw/zinc/16/05/13/405160513.db2.gz UGICCQQTEXIQED-UHFFFAOYSA-N -1 3 304.272 2.135 10 30 DEEEHM C=CCC1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCOCC1 ZINC000424726581 405160517 /nfs/dbraw/zinc/16/05/17/405160517.db2.gz UGICCQQTEXIQED-UHFFFAOYSA-N -1 3 304.272 2.135 10 30 DEEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632544284 406176587 /nfs/dbraw/zinc/17/65/87/406176587.db2.gz BFKALXYCMUIWRS-UWVGGRQHSA-N -1 3 302.421 2.262 10 30 DEEEHM CCCS(=O)(=O)[N-]c1cc(Cl)ccc1C#CCCO ZINC000131998886 196218132 /nfs/dbraw/zinc/21/81/32/196218132.db2.gz UCKGCLPKUAPGFM-UHFFFAOYSA-N -1 3 301.795 2.226 10 30 DEEEHM C=C(COC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)OCC ZINC000751731932 639113386 /nfs/dbraw/zinc/11/33/86/639113386.db2.gz QAEBAVNGHJPACU-UHFFFAOYSA-N -1 3 302.685 2.461 10 30 DEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)(C)C ZINC000805148572 639848310 /nfs/dbraw/zinc/84/83/10/639848310.db2.gz FZUGPVRZBGAFOL-JTQLQIEISA-N -1 3 316.404 2.291 10 30 DEEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625250598 365697548 /nfs/dbraw/zinc/69/75/48/365697548.db2.gz ZVNBVALODGAZCG-MNOVXSKESA-N -1 3 317.357 2.285 10 30 DEEEHM CCC1CCC(C#N)([N-]S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000092910099 185348508 /nfs/dbraw/zinc/34/85/08/185348508.db2.gz ROJPFYVTKIUQJI-UHFFFAOYSA-N -1 3 310.423 2.044 10 30 DEEEHM Cc1ccc(C(=O)NCc2sccc2C#CCO)c([O-])c1 ZINC000148553185 186044973 /nfs/dbraw/zinc/04/49/73/186044973.db2.gz DRDZTAPGVMGDIJ-UHFFFAOYSA-N -1 3 301.367 2.036 10 30 DEEEHM O=C(CCCC1CCN(C(=O)Nc2cccnc2)CC1)N[O-] ZINC000036475792 354165326 /nfs/dbraw/zinc/16/53/26/354165326.db2.gz BEOVAEFIYMOMRV-UHFFFAOYSA-N -1 3 306.366 2.001 10 30 DEEEHM C=CCNC(=O)Cc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000350726536 356562312 /nfs/dbraw/zinc/56/23/12/356562312.db2.gz KZAYBVPPKFMVFD-UHFFFAOYSA-N -1 3 313.357 2.166 10 30 DEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000599361929 359477219 /nfs/dbraw/zinc/47/72/19/359477219.db2.gz ZCSMFEMDGJTYMI-UHFFFAOYSA-N -1 3 323.374 2.347 10 30 DEEEHM CCc1nc(C[N-]S(=O)(=O)c2cccc(C)c2C#N)cs1 ZINC000157357037 197181588 /nfs/dbraw/zinc/18/15/88/197181588.db2.gz LAEWSCPQEITZJO-UHFFFAOYSA-N -1 3 321.427 2.364 10 30 DEEEHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(CN)c1 ZINC000063191089 184277265 /nfs/dbraw/zinc/27/72/65/184277265.db2.gz ZXBNVZSZDWQEGE-UHFFFAOYSA-N -1 3 321.789 2.471 10 30 DEEEHM C=C(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452719640 405232837 /nfs/dbraw/zinc/23/28/37/405232837.db2.gz CFXNSXIGOZDWGU-AWEZNQCLSA-N -1 3 302.374 2.079 10 30 DEEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632544286 406176550 /nfs/dbraw/zinc/17/65/50/406176550.db2.gz BFKALXYCMUIWRS-ZJUUUORDSA-N -1 3 302.421 2.262 10 30 DEEEHM CC(C)(C)S(=O)(=O)[N-]c1cc(Cl)ccc1C#CCO ZINC000131977399 196215715 /nfs/dbraw/zinc/21/57/15/196215715.db2.gz LPKOIHDSKBVNAM-UHFFFAOYSA-N -1 3 301.795 2.224 10 30 DEEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000567265206 341592274 /nfs/dbraw/zinc/59/22/74/341592274.db2.gz DCYSVSCGBGQBIC-HNNXBMFYSA-N -1 3 311.403 2.418 10 30 DEEEHM C=CCCCS(=O)(=O)[N-]c1ncc(C(=O)OC)cc1Cl ZINC000568000776 341644927 /nfs/dbraw/zinc/64/49/27/341644927.db2.gz COKOQQLXNACFSV-UHFFFAOYSA-N -1 3 318.782 2.230 10 30 DEEEHM N#Cc1ccncc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000805715749 642813746 /nfs/dbraw/zinc/81/37/46/642813746.db2.gz UVMPJONCSPMEIZ-UHFFFAOYSA-N -1 3 322.280 2.066 10 30 DEEEHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000804456393 645774169 /nfs/dbraw/zinc/77/41/69/645774169.db2.gz XUKIJYABYVVQQX-AWEZNQCLSA-N -1 3 322.343 2.461 10 30 DEEEHM Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000083763242 192381434 /nfs/dbraw/zinc/38/14/34/192381434.db2.gz LGHVSEXXMOXMMP-LBPRGKRZSA-N -1 3 303.325 2.274 10 30 DEEEHM C=CCn1cc(C(=O)[N-]c2nnc(CCC(C)C)s2)nn1 ZINC000617093237 363020733 /nfs/dbraw/zinc/02/07/33/363020733.db2.gz ICGMLBBKGYKCPT-UHFFFAOYSA-N -1 3 306.395 2.157 10 30 DEEEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nccs1 ZINC000080276794 192020431 /nfs/dbraw/zinc/02/04/31/192020431.db2.gz RLWJEVDVCPXTNV-NSHDSACASA-N -1 3 307.400 2.444 10 30 DEEEHM C[C@H](C(=O)N1CCCC1)n1c2cccc(C#N)c2[n-]c1=S ZINC000126122796 195811967 /nfs/dbraw/zinc/81/19/67/195811967.db2.gz GFMJCWDDMSUHOG-SNVBAGLBSA-N -1 3 300.387 2.380 10 30 DEEEHM C=CCCOCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000129615585 401806500 /nfs/dbraw/zinc/80/65/00/401806500.db2.gz FFZMELKDKGQAMC-UHFFFAOYSA-N -1 3 305.374 2.428 10 30 DEEEHM C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000184563782 402276721 /nfs/dbraw/zinc/27/67/21/402276721.db2.gz QICGLSOSMNSRTB-CQSZACIVSA-N -1 3 316.401 2.279 10 30 DEEEHM C=C(C)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000183602181 402780580 /nfs/dbraw/zinc/78/05/80/402780580.db2.gz AAPHFEYTICLVCO-AWEZNQCLSA-N -1 3 302.374 2.031 10 30 DEEEHM C=CCCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1 ZINC000447874196 527234534 /nfs/dbraw/zinc/23/45/34/527234534.db2.gz KMXLXNXACSJXGG-UHFFFAOYSA-N -1 3 315.366 2.247 10 30 DEEEHM CC[C@@](C)(C#N)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000803781344 645694549 /nfs/dbraw/zinc/69/45/49/645694549.db2.gz BRYKDALOTQEDKT-HNNXBMFYSA-N -1 3 301.302 2.425 10 30 DEEEHM C=CCN(CC(F)(F)F)C(=O)c1nnc2ccccc2c1[O-] ZINC000110064247 652167458 /nfs/dbraw/zinc/16/74/58/652167458.db2.gz PZBJNZJJYFSKIB-UHFFFAOYSA-N -1 3 311.263 2.114 10 30 DEEEHM C[C@H]1CCC[C@H](C)N1[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000147790091 186041835 /nfs/dbraw/zinc/04/18/35/186041835.db2.gz HUUZRLAIKYSLIA-QWRGUYRKSA-N -1 3 311.382 2.154 10 30 DEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000599360445 359477225 /nfs/dbraw/zinc/47/72/25/359477225.db2.gz NBZDXZGFHOXWTN-UHFFFAOYSA-N -1 3 315.391 2.255 10 30 DEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000599361699 359477260 /nfs/dbraw/zinc/47/72/60/359477260.db2.gz XDLZJBXOHWTBKG-UHFFFAOYSA-N -1 3 317.432 2.415 10 30 DEEEHM C=CC[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000160151350 197389892 /nfs/dbraw/zinc/38/98/92/197389892.db2.gz FEBLLCDFAYNZOB-SNVBAGLBSA-N -1 3 302.252 2.246 10 30 DEEEHM C#CC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000157840836 197219733 /nfs/dbraw/zinc/21/97/33/197219733.db2.gz ZRTHWDPRDRWHCD-QMMMGPOBSA-N -1 3 320.183 2.278 10 30 DEEEHM C=C(C)COCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000119645993 401963017 /nfs/dbraw/zinc/96/30/17/401963017.db2.gz SEJRIKVMNZJFHI-UHFFFAOYSA-N -1 3 305.374 2.428 10 30 DEEEHM CCCCCCC[C@H](C)CNC(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000155631405 402263740 /nfs/dbraw/zinc/26/37/40/402263740.db2.gz DQLYNUDUCZWNOS-POZPTJLLSA-N -1 3 323.437 2.087 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000566063894 406085130 /nfs/dbraw/zinc/08/51/30/406085130.db2.gz PRPIRGVCNOOPFF-WFASDCNBSA-N -1 3 315.373 2.283 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000566063894 406085135 /nfs/dbraw/zinc/08/51/35/406085135.db2.gz PRPIRGVCNOOPFF-WFASDCNBSA-N -1 3 315.373 2.283 10 30 DEEEHM C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000545929723 341146876 /nfs/dbraw/zinc/14/68/76/341146876.db2.gz PYJHLVPZVIEXIE-DIFFPNOSSA-N -1 3 315.373 2.282 10 30 DEEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000281502022 527053625 /nfs/dbraw/zinc/05/36/25/527053625.db2.gz KWUVARLFRBZQED-SNVBAGLBSA-N -1 3 314.363 2.236 10 30 DEEEHM CC[C@](C)(C#N)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000803781349 645694600 /nfs/dbraw/zinc/69/46/00/645694600.db2.gz BRYKDALOTQEDKT-OAHLLOKOSA-N -1 3 301.302 2.425 10 30 DEEEHM C=CCCOCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625097935 365643014 /nfs/dbraw/zinc/64/30/14/365643014.db2.gz YQPYANGZCKVNRZ-UHFFFAOYSA-N -1 3 305.346 2.144 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825479 362471155 /nfs/dbraw/zinc/47/11/55/362471155.db2.gz HYVGWYRNDGYSOH-RWMBFGLXSA-N -1 3 319.405 2.469 10 30 DEEEHM Cc1ccc(C#CCO)c([N-]S(=O)(=O)C2CCCCC2)c1 ZINC000164260859 186154000 /nfs/dbraw/zinc/15/40/00/186154000.db2.gz XNAGBQFRIFLACU-UHFFFAOYSA-N -1 3 307.415 2.413 10 30 DEEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000617043062 363007764 /nfs/dbraw/zinc/00/77/64/363007764.db2.gz YZSUHBZRDIKXRV-CJNGLKHVSA-N -1 3 316.401 2.373 10 30 DEEEHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1nccs1 ZINC000080276826 192020261 /nfs/dbraw/zinc/02/02/61/192020261.db2.gz LIFLWJGSNRITCP-QMMMGPOBSA-N -1 3 311.363 2.193 10 30 DEEEHM C=CCCn1cc(CSCc2nc(CC)cc(=O)[n-]2)nn1 ZINC000594557659 358294128 /nfs/dbraw/zinc/29/41/28/358294128.db2.gz QSRJNAJCBPMLQU-UHFFFAOYSA-N -1 3 305.407 2.346 10 30 DEEEHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccncc1 ZINC000611025365 361514762 /nfs/dbraw/zinc/51/47/62/361514762.db2.gz UQMSITXIHFEPNW-LLVKDONJSA-N -1 3 319.361 2.174 10 30 DEEEHM C=CCC[C@@H](CO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622095616 364661627 /nfs/dbraw/zinc/66/16/27/364661627.db2.gz VJXFIBRWMJSFJH-NSHDSACASA-N -1 3 303.280 2.468 10 30 DEEEHM C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000622135092 364677239 /nfs/dbraw/zinc/67/72/39/364677239.db2.gz WTIUISRGTZPFSK-BBRMVZONSA-N -1 3 316.401 2.373 10 30 DEEEHM C=CC[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000160253190 197395739 /nfs/dbraw/zinc/39/57/39/197395739.db2.gz DOFWZPMVYFBQMA-SECBINFHSA-N -1 3 302.252 2.246 10 30 DEEEHM COc1cccc(C(=O)NCc2ccc(C#N)cc2F)c1[O-] ZINC000103912178 402195137 /nfs/dbraw/zinc/19/51/37/402195137.db2.gz HZWXNFGFVAROIX-UHFFFAOYSA-N -1 3 300.289 2.342 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000185410016 402350775 /nfs/dbraw/zinc/35/07/75/402350775.db2.gz CNIJRIMCDIJHJQ-APPDUMDISA-N -1 3 315.373 2.282 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)s1 ZINC000435428995 404978769 /nfs/dbraw/zinc/97/87/69/404978769.db2.gz UJOJPVCFZHYUDF-MRVPVSSYSA-N -1 3 306.359 2.476 10 30 DEEEHM N#Cc1ccc(N2CCC(NC(=O)c3cccc([O-])c3)CC2)nc1 ZINC000378551543 404998035 /nfs/dbraw/zinc/99/80/35/404998035.db2.gz OMFVLICYZGYEBQ-UHFFFAOYSA-N -1 3 322.368 2.058 10 30 DEEEHM C=CCC1(C(=O)Nc2nnc(-c3ccco3)[n-]2)CCOCC1 ZINC000425140464 405250132 /nfs/dbraw/zinc/25/01/32/405250132.db2.gz DXZGFZBCTHJBQB-UHFFFAOYSA-N -1 3 302.334 2.376 10 30 DEEEHM C=CCC1(C(=O)Nc2nc(-c3ccco3)n[n-]2)CCOCC1 ZINC000425140464 405250133 /nfs/dbraw/zinc/25/01/33/405250133.db2.gz DXZGFZBCTHJBQB-UHFFFAOYSA-N -1 3 302.334 2.376 10 30 DEEEHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCOCC1 ZINC000425140464 405250135 /nfs/dbraw/zinc/25/01/35/405250135.db2.gz DXZGFZBCTHJBQB-UHFFFAOYSA-N -1 3 302.334 2.376 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000425177461 405254489 /nfs/dbraw/zinc/25/44/89/405254489.db2.gz GNGLZZNBTPYVAE-CABZTGNLSA-N -1 3 319.785 2.349 10 30 DEEEHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000408336502 227231844 /nfs/dbraw/zinc/23/18/44/227231844.db2.gz AVVHVWLEVOAUIS-KCJUWKMLSA-N -1 3 302.758 2.450 10 30 DEEEHM C=CCCCS(=O)(=O)[N-][C@@H](c1ccccc1F)[C@@H](C)O ZINC000519822966 335898160 /nfs/dbraw/zinc/89/81/60/335898160.db2.gz JCFYSIZPIXNYEW-BXUZGUMPSA-N -1 3 301.383 2.133 10 30 DEEEHM C#CCC(CC#C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000803698295 645681773 /nfs/dbraw/zinc/68/17/73/645681773.db2.gz LKSHYFANNBORGZ-UHFFFAOYSA-N -1 3 310.309 2.148 10 30 DEEEHM C=CCCCS(=O)(=O)[N-][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599410564 359491350 /nfs/dbraw/zinc/49/13/50/359491350.db2.gz BOKONJGVZJWSPW-OAHLLOKOSA-N -1 3 317.451 2.384 10 30 DEEEHM C=CC[C@@H]1CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000627732708 366603336 /nfs/dbraw/zinc/60/33/36/366603336.db2.gz AVZIAEFYBFSMNA-CQSZACIVSA-N -1 3 324.384 2.235 10 30 DEEEHM COc1cc(C(=O)NCc2ccc(C#N)cc2F)ccc1[O-] ZINC000610681048 361443565 /nfs/dbraw/zinc/44/35/65/361443565.db2.gz FKZAHRQCOGHOOB-UHFFFAOYSA-N -1 3 300.289 2.342 10 30 DEEEHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119819311 195042421 /nfs/dbraw/zinc/04/24/21/195042421.db2.gz BYFFZELSOJMUCA-UHFFFAOYSA-N -1 3 306.329 2.243 10 30 DEEEHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119819311 195042422 /nfs/dbraw/zinc/04/24/22/195042422.db2.gz BYFFZELSOJMUCA-UHFFFAOYSA-N -1 3 306.329 2.243 10 30 DEEEHM CCCCCS(=O)(=O)[N-]c1cnn(-c2ncccc2C#N)c1 ZINC000194661864 402808517 /nfs/dbraw/zinc/80/85/17/402808517.db2.gz MABSRDRYQPGAIR-UHFFFAOYSA-N -1 3 319.390 2.071 10 30 DEEEHM C=CCCCC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632226735 406058126 /nfs/dbraw/zinc/05/81/26/406058126.db2.gz DQFRDSUCMXJMIR-UHFFFAOYSA-N -1 3 311.329 2.074 10 30 DEEEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000295203736 281409671 /nfs/dbraw/zinc/40/96/71/281409671.db2.gz FOVDEMMNAOVAKQ-LBPRGKRZSA-N -1 3 314.794 2.057 10 30 DEEEHM C=CCCS(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)OCC ZINC000344088359 335216786 /nfs/dbraw/zinc/21/67/86/335216786.db2.gz QIPMINPBTYLCGS-GFCCVEGCSA-N -1 3 305.440 2.240 10 30 DEEEHM CC(C)(C)c1nnc(S(=O)(=O)Cc2ccc(C#N)c(F)c2)[n-]1 ZINC000195173067 526849603 /nfs/dbraw/zinc/84/96/03/526849603.db2.gz RUZNRBIXUNZAKE-UHFFFAOYSA-N -1 3 322.365 2.087 10 30 DEEEHM CC(C)(C)c1n[n-]c(S(=O)(=O)Cc2ccc(C#N)c(F)c2)n1 ZINC000195173067 526849606 /nfs/dbraw/zinc/84/96/06/526849606.db2.gz RUZNRBIXUNZAKE-UHFFFAOYSA-N -1 3 322.365 2.087 10 30 DEEEHM C=CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728726817 639296896 /nfs/dbraw/zinc/29/68/96/639296896.db2.gz YGSVFLPZIJBEST-UHFFFAOYSA-N -1 3 324.333 2.297 10 30 DEEEHM C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000804456394 645774157 /nfs/dbraw/zinc/77/41/57/645774157.db2.gz XUKIJYABYVVQQX-CQSZACIVSA-N -1 3 322.343 2.461 10 30 DEEEHM C[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2C#N)CC1(F)F ZINC000701775647 1086383723 /nfs/dbraw/zinc/38/37/23/1086383723.db2.gz OUGHLVGOUBLFNE-LLVKDONJSA-N -1 3 304.293 2.021 10 30 DEEEHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)cc1N ZINC000088467371 185252095 /nfs/dbraw/zinc/25/20/95/185252095.db2.gz HXNDGFCRAHKTCB-MRVPVSSYSA-N -1 3 318.196 2.075 10 30 DEEEHM CCN(CCC#N)c1cc2c(cc1Br)C(=O)C(=O)[N-]2 ZINC000092773395 185339842 /nfs/dbraw/zinc/33/98/42/185339842.db2.gz IIEUTIUWHUHKPK-UHFFFAOYSA-N -1 3 322.162 2.324 10 30 DEEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000617040622 363006959 /nfs/dbraw/zinc/00/69/59/363006959.db2.gz WOELVRRUXIRFAL-ABAIWWIYSA-N -1 3 312.369 2.435 10 30 DEEEHM CCCCCCCOC(=S)[N-]C[C@@H]1CCS(=O)(=O)C1 ZINC000059568466 354605386 /nfs/dbraw/zinc/60/53/86/354605386.db2.gz UTKIUTNKAMMNKT-LBPRGKRZSA-N -1 3 307.481 2.283 10 30 DEEEHM C#CCOc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119364417 401944716 /nfs/dbraw/zinc/94/47/16/401944716.db2.gz OWCFGTKEHQOKHV-UHFFFAOYSA-N -1 3 321.340 2.075 10 30 DEEEHM C#CCOc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119364417 401944718 /nfs/dbraw/zinc/94/47/18/401944718.db2.gz OWCFGTKEHQOKHV-UHFFFAOYSA-N -1 3 321.340 2.075 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000184710577 402293794 /nfs/dbraw/zinc/29/37/94/402293794.db2.gz HXHCBYQSCBCNMM-ZDUSSCGKSA-N -1 3 304.390 2.231 10 30 DEEEHM CCCCCCCCCCNC(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000160248676 402339364 /nfs/dbraw/zinc/33/93/64/402339364.db2.gz CSTARKBHECNTBV-UHFFFAOYSA-N -1 3 323.437 2.232 10 30 DEEEHM C=C(C)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000183602198 402780683 /nfs/dbraw/zinc/78/06/83/402780683.db2.gz AAPHFEYTICLVCO-CQSZACIVSA-N -1 3 302.374 2.031 10 30 DEEEHM N#Cc1cccnc1-n1cc(NC(=O)c2cccc([O-])c2)cn1 ZINC000184285001 402832484 /nfs/dbraw/zinc/83/24/84/402832484.db2.gz NVLIRPPLYFSIMA-UHFFFAOYSA-N -1 3 305.297 2.097 10 30 DEEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289828707 404001823 /nfs/dbraw/zinc/00/18/23/404001823.db2.gz LBDQNSPRWCXBCI-NSHDSACASA-N -1 3 315.391 2.316 10 30 DEEEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c1 ZINC000329483299 404352458 /nfs/dbraw/zinc/35/24/58/404352458.db2.gz FCMVACASEIWFGX-GDLCADMTSA-N -1 3 324.402 2.380 10 30 DEEEHM C=CCC(CC=C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291605803 404444961 /nfs/dbraw/zinc/44/49/61/404444961.db2.gz SCWVCSOVABRJTB-UHFFFAOYSA-N -1 3 315.373 2.290 10 30 DEEEHM N#Cc1cc(S(=O)(=O)[N-]c2c(N)cccc2F)ccc1F ZINC000132324155 196244978 /nfs/dbraw/zinc/24/49/78/196244978.db2.gz HISFPVLVOCDHSX-UHFFFAOYSA-N -1 3 309.297 2.219 10 30 DEEEHM Cc1ccc(NCCCNC(=O)c2cccc([O-])c2)nc1C#N ZINC000302682958 230350195 /nfs/dbraw/zinc/35/01/95/230350195.db2.gz XNKIKDZJANPZOC-UHFFFAOYSA-N -1 3 310.357 2.199 10 30 DEEEHM CCN1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1=O ZINC000801646639 641586934 /nfs/dbraw/zinc/58/69/34/641586934.db2.gz UUHMWIGAGBLBGO-OXFWXOROSA-N -1 3 311.179 2.194 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825478 362471358 /nfs/dbraw/zinc/47/13/58/362471358.db2.gz HYVGWYRNDGYSOH-AVGNSLFASA-N -1 3 319.405 2.469 10 30 DEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000350011635 404294809 /nfs/dbraw/zinc/29/48/09/404294809.db2.gz MPTJVKUTVXLAEQ-NSHDSACASA-N -1 3 313.350 2.096 10 30 DEEEHM C=CC[C@@H](CO)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436618565 405110585 /nfs/dbraw/zinc/11/05/85/405110585.db2.gz SHMZDUCDVRYDII-LLVKDONJSA-N -1 3 305.374 2.020 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(F)c1 ZINC000562466409 406015317 /nfs/dbraw/zinc/01/53/17/406015317.db2.gz HXUVMFMFSLWPQR-UHFFFAOYSA-N -1 3 321.377 2.306 10 30 DEEEHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000295203732 527812748 /nfs/dbraw/zinc/81/27/48/527812748.db2.gz FOVDEMMNAOVAKQ-GFCCVEGCSA-N -1 3 314.794 2.057 10 30 DEEEHM C[C@@H](Cc1ccccc1)NC(=O)CON=Cc1ccccc1[O-] ZINC000254629661 356336963 /nfs/dbraw/zinc/33/69/63/356336963.db2.gz VQMYPSAYHUORPC-AWEZNQCLSA-N -1 3 312.369 2.490 10 30 DEEEHM Cc1nc2c(s1)CCC[C@@H]2CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000328644424 356465550 /nfs/dbraw/zinc/46/55/50/356465550.db2.gz ZHRHMLGWVRXRAY-BDAKNGLRSA-N -1 3 322.390 2.471 10 30 DEEEHM N/C(=N/[O-])c1ccc(Cl)cc1-n1cc(Br)cn1 ZINC000062789578 184253230 /nfs/dbraw/zinc/25/32/30/184253230.db2.gz HUEBGTBHMFTUNR-UHFFFAOYSA-N -1 3 315.558 2.383 10 30 DEEEHM Cn1cc(-c2ncc(C([O-])=C(C#N)c3ccccn3)s2)cn1 ZINC000112222587 401733937 /nfs/dbraw/zinc/73/39/37/401733937.db2.gz ZZRPMZOTSRAVII-LLVKDONJSA-N -1 3 309.354 2.429 10 30 DEEEHM C=CCCCN(C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000129250735 401800913 /nfs/dbraw/zinc/80/09/13/401800913.db2.gz XJCVZOOAIXFSMA-UHFFFAOYSA-N -1 3 304.390 2.245 10 30 DEEEHM Cn1ncc(N=Cc2cccc([O-])c2)c1C(=O)NCc1ccco1 ZINC000254624808 402671215 /nfs/dbraw/zinc/67/12/15/402671215.db2.gz SHGCIZUWVMLEHB-UHFFFAOYSA-N -1 3 324.340 2.399 10 30 DEEEHM C=CCCCC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289882621 404005777 /nfs/dbraw/zinc/00/57/77/404005777.db2.gz OMEOTFOTBXYWJR-UHFFFAOYSA-N -1 3 315.391 2.318 10 30 DEEEHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(N)c(F)c2)c(F)c1 ZINC000131118615 196142011 /nfs/dbraw/zinc/14/20/11/196142011.db2.gz MGJJVNRFYJINBW-UHFFFAOYSA-N -1 3 309.297 2.219 10 30 DEEEHM N#Cc1c(Cl)cccc1N1CC[C@@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600881091 425047745 /nfs/dbraw/zinc/04/77/45/425047745.db2.gz VSZYUJKXKNFRFP-SECBINFHSA-N -1 3 315.764 2.283 10 30 DEEEHM COc1cc(C=NNc2ccc(C)cn2)c([N+](=O)[O-])cc1[O-] ZINC000727259440 637798308 /nfs/dbraw/zinc/79/83/08/637798308.db2.gz DRYUSTCUWOWPMP-UHFFFAOYSA-N -1 3 302.290 2.458 10 30 DEEEHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N)c(F)c2)ccc1F ZINC000148725062 186045503 /nfs/dbraw/zinc/04/55/03/186045503.db2.gz XOUMQBCJWAASHM-UHFFFAOYSA-N -1 3 309.297 2.219 10 30 DEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000599360843 359477216 /nfs/dbraw/zinc/47/72/16/359477216.db2.gz RCZPYIQRIHWYJY-UHFFFAOYSA-N -1 3 317.432 2.415 10 30 DEEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000620313712 364013766 /nfs/dbraw/zinc/01/37/66/364013766.db2.gz ADIWJXVZAWDEFM-GASCZTMLSA-N -1 3 320.414 2.381 10 30 DEEEHM NCC#Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000094671783 193391345 /nfs/dbraw/zinc/39/13/45/193391345.db2.gz NQEROZMZGHBAJP-UHFFFAOYSA-N -1 3 320.801 2.451 10 30 DEEEHM Cc1nc([N-]C(=O)c2sccc2C#N)n(-c2ccccc2)n1 ZINC000359087696 147259315 /nfs/dbraw/zinc/25/93/15/147259315.db2.gz NONWEJYMYJOFRW-UHFFFAOYSA-N -1 3 309.354 2.183 10 30 DEEEHM Cc1cc(C#N)ccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000162574957 402424967 /nfs/dbraw/zinc/42/49/67/402424967.db2.gz HMTFHGVTNQDQHF-UHFFFAOYSA-N -1 3 304.313 2.299 10 30 DEEEHM Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000162574957 402424969 /nfs/dbraw/zinc/42/49/69/402424969.db2.gz HMTFHGVTNQDQHF-UHFFFAOYSA-N -1 3 304.313 2.299 10 30 DEEEHM Cc1cc(C#N)ccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000162574957 402424972 /nfs/dbraw/zinc/42/49/72/402424972.db2.gz HMTFHGVTNQDQHF-UHFFFAOYSA-N -1 3 304.313 2.299 10 30 DEEEHM CCc1ccc(S(=O)(=O)NN=Cc2ccccc2[O-])cc1 ZINC000254795885 402671981 /nfs/dbraw/zinc/67/19/81/402671981.db2.gz RKGWFBAOQVFNRJ-UHFFFAOYSA-N -1 3 304.371 2.267 10 30 DEEEHM C=CCn1c(=O)[n-]nc1SCc1cn(-c2ccccc2)nn1 ZINC000348133220 404044976 /nfs/dbraw/zinc/04/49/76/404044976.db2.gz RQPTWBYGDNIERM-UHFFFAOYSA-N -1 3 314.374 2.043 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000425176779 405253963 /nfs/dbraw/zinc/25/39/63/405253963.db2.gz BWXQIZXJWGBNMX-GWCFXTLKSA-N -1 3 317.357 2.143 10 30 DEEEHM C=CCCCS(=O)(=O)[N-][C@@H](c1ccccc1F)[C@H](C)O ZINC000519823005 406259611 /nfs/dbraw/zinc/25/96/11/406259611.db2.gz JCFYSIZPIXNYEW-SMDDNHRTSA-N -1 3 301.383 2.133 10 30 DEEEHM C=CCCCS(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000489259060 406386606 /nfs/dbraw/zinc/38/66/06/406386606.db2.gz QZUBLJCVNLGKKQ-UHFFFAOYSA-N -1 3 307.375 2.122 10 30 DEEEHM CCC(C#N)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000131270096 196156709 /nfs/dbraw/zinc/15/67/09/196156709.db2.gz UTWVWCGAHLVOER-UHFFFAOYSA-N -1 3 315.326 2.095 10 30 DEEEHM C=CC[C@H]1N(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CCCC1(C)C ZINC000330437205 527226306 /nfs/dbraw/zinc/22/63/06/527226306.db2.gz RNJKBAHCNODNQE-CYBMUJFWSA-N -1 3 318.421 2.455 10 30 DEEEHM C=CCCC[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000447943961 527233575 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ZINC000042400981 183264721 /nfs/dbraw/zinc/26/47/21/183264721.db2.gz RVRMHAQHACDYDS-UHFFFAOYSA-N -1 3 301.367 2.070 10 30 DEEEHM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1C#CCN ZINC000109436239 194262173 /nfs/dbraw/zinc/26/21/73/194262173.db2.gz NNVNSWMRWMPACO-UHFFFAOYSA-N -1 3 300.383 2.106 10 30 DEEEHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000116906057 401864067 /nfs/dbraw/zinc/86/40/67/401864067.db2.gz JHNRAZOFLIALEB-SECBINFHSA-N -1 3 317.794 2.370 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)s1 ZINC000230338618 402350901 /nfs/dbraw/zinc/35/09/01/402350901.db2.gz YQCPLEXHPPQZCQ-OLZOCXBDSA-N -1 3 304.396 2.454 10 30 DEEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000281502008 403069864 /nfs/dbraw/zinc/06/98/64/403069864.db2.gz KWUVARLFRBZQED-JTQLQIEISA-N -1 3 314.363 2.236 10 30 DEEEHM C=CC[C@@H](CO)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000302131832 403708100 /nfs/dbraw/zinc/70/81/00/403708100.db2.gz KOMXHSCWTNRIFG-ZDUSSCGKSA-N -1 3 300.362 2.156 10 30 DEEEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(N2CCCCC2)cn1 ZINC000328936868 404176822 /nfs/dbraw/zinc/17/68/22/404176822.db2.gz QZFAWDUTMCQFRG-NSHDSACASA-N -1 3 317.349 2.303 10 30 DEEEHM C=CCCO[C@@H](C)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319747 405886589 /nfs/dbraw/zinc/88/65/89/405886589.db2.gz XVIWGQJDLKGVSZ-NSHDSACASA-N -1 3 305.378 2.047 10 30 DEEEHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000407996494 227225992 /nfs/dbraw/zinc/22/59/92/227225992.db2.gz FMVARWNKXXWSBX-QPUJVOFHSA-N -1 3 302.758 2.450 10 30 DEEEHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C#N)cc1F ZINC000408310246 227230372 /nfs/dbraw/zinc/23/03/72/227230372.db2.gz QZHSWIOSQLSQGE-SKDRFNHKSA-N -1 3 300.330 2.244 10 30 DEEEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C#N)c(F)cc1F ZINC000408421965 227234513 /nfs/dbraw/zinc/23/45/13/227234513.db2.gz DFXSUGAHLABFQE-BXKDBHETSA-N -1 3 300.330 2.244 10 30 DEEEHM C#CCC(CC#C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000376681524 526676659 /nfs/dbraw/zinc/67/66/59/526676659.db2.gz QMKROZBYANXSDT-UHFFFAOYSA-N -1 3 314.295 2.351 10 30 DEEEHM C#CCC(CC#C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000376681524 526676665 /nfs/dbraw/zinc/67/66/65/526676665.db2.gz QMKROZBYANXSDT-UHFFFAOYSA-N -1 3 314.295 2.351 10 30 DEEEHM C#CCC(CC#C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000376681524 526676670 /nfs/dbraw/zinc/67/66/70/526676670.db2.gz QMKROZBYANXSDT-UHFFFAOYSA-N -1 3 314.295 2.351 10 30 DEEEHM C=C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000369109145 526897117 /nfs/dbraw/zinc/89/71/17/526897117.db2.gz RAHLOAVIQCAMPU-HNNXBMFYSA-N -1 3 314.385 2.175 10 30 DEEEHM N#Cc1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)c(F)c1 ZINC000729862764 640850307 /nfs/dbraw/zinc/85/03/07/640850307.db2.gz GMAIEVCLTIIIAG-UHFFFAOYSA-N -1 3 314.272 2.062 10 30 DEEEHM C=C(C)COCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625067091 365632487 /nfs/dbraw/zinc/63/24/87/365632487.db2.gz UWIJKBDMHZETIO-UHFFFAOYSA-N -1 3 305.346 2.144 10 30 DEEEHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#CC[NH3+])cc1 ZINC000088716541 185263053 /nfs/dbraw/zinc/26/30/53/185263053.db2.gz ULHFHHLIJCBPJP-UHFFFAOYSA-N -1 3 300.383 2.106 10 30 DEEEHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#CCN)cc1 ZINC000088716541 185263054 /nfs/dbraw/zinc/26/30/54/185263054.db2.gz ULHFHHLIJCBPJP-UHFFFAOYSA-N -1 3 300.383 2.106 10 30 DEEEHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#CCN)c2)s1 ZINC000164411890 186158583 /nfs/dbraw/zinc/15/85/83/186158583.db2.gz CNGRDPIMOVFIST-UHFFFAOYSA-N -1 3 324.402 2.307 10 30 DEEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000601502348 360055525 /nfs/dbraw/zinc/05/55/25/360055525.db2.gz OENGWBARVBSAQX-QMMMGPOBSA-N -1 3 323.823 2.188 10 30 DEEEHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nccn2C)[n-]n1)OCC ZINC000270097346 208155303 /nfs/dbraw/zinc/15/53/03/208155303.db2.gz IFNRUSLJRDEZSZ-LBPRGKRZSA-N -1 3 303.366 2.120 10 30 DEEEHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nccn2C)n[n-]1)OCC ZINC000270097346 208155310 /nfs/dbraw/zinc/15/53/10/208155310.db2.gz IFNRUSLJRDEZSZ-LBPRGKRZSA-N 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/nfs/dbraw/zinc/04/37/52/405043752.db2.gz PPZGBWICSKEWIA-UHFFFAOYSA-N -1 3 317.794 2.371 10 30 DEEEHM Cn1c(C(C#N)=C([O-])c2ccnc(C#N)c2)nc2ccccc21 ZINC000193510100 225161710 /nfs/dbraw/zinc/16/17/10/225161710.db2.gz APIOCQBOFDOFSV-CYBMUJFWSA-N -1 3 301.309 2.330 10 30 DEEEHM C=CCCCCC[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000521067881 332006851 /nfs/dbraw/zinc/00/68/51/332006851.db2.gz DODVJBGHPCAUJA-UHFFFAOYSA-N -1 3 317.436 2.126 10 30 DEEEHM C=CCN1CCC(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000442641354 526446552 /nfs/dbraw/zinc/44/65/52/526446552.db2.gz ALKJMOIUAXKYGV-UHFFFAOYSA-N -1 3 324.808 2.434 10 30 DEEEHM C=CC[C@@H](CC)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000374156698 527049845 /nfs/dbraw/zinc/04/98/45/527049845.db2.gz DBSNCZLGYSOGFE-UKRRQHHQSA-N -1 3 316.401 2.468 10 30 DEEEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(C2)CCCOC3)c1 ZINC000329465892 528747533 /nfs/dbraw/zinc/74/75/33/528747533.db2.gz RPMFTXHAXRPUTB-UHFFFAOYSA-N -1 3 304.346 2.253 10 30 DEEEHM N#C[C@H]1CN(Cc2c([O-])ccc3ccncc32)CCN1C1CC1 ZINC000732673140 647639907 /nfs/dbraw/zinc/63/99/07/647639907.db2.gz WDVBCLLRADOYEZ-HNNXBMFYSA-N -1 3 308.385 2.113 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825480 362470810 /nfs/dbraw/zinc/47/08/10/362470810.db2.gz HYVGWYRNDGYSOH-XQQFMLRXSA-N -1 3 319.405 2.469 10 30 DEEEHM C=CCn1c(=O)[n-]nc1S[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000601078615 359913985 /nfs/dbraw/zinc/91/39/85/359913985.db2.gz NDYXCIQEWQQMLA-SNVBAGLBSA-N -1 3 311.407 2.382 10 30 DEEEHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]/N=C/c2ccc(F)cc2)c1 ZINC000006494358 181345973 /nfs/dbraw/zinc/34/59/73/181345973.db2.gz RKNITODCMZHZLA-OQLLNIDSSA-N -1 3 323.305 2.046 10 30 DEEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCCO2)c1 ZINC000160799887 402361584 /nfs/dbraw/zinc/36/15/84/402361584.db2.gz IRUHHRQPLKLLLS-NSHDSACASA-N -1 3 314.794 2.059 10 30 DEEEHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000336891806 403949213 /nfs/dbraw/zinc/94/92/13/403949213.db2.gz JABZQDIWEMCURD-GFCCVEGCSA-N -1 3 314.794 2.057 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000567723047 406126577 /nfs/dbraw/zinc/12/65/77/406126577.db2.gz AZPFFRVNMDUSCZ-WFASDCNBSA-N -1 3 312.369 2.157 10 30 DEEEHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000408339994 303167653 /nfs/dbraw/zinc/16/76/53/303167653.db2.gz MSOCTTVDNOPEOY-LDYMZIIASA-N -1 3 302.758 2.450 10 30 DEEEHM C=CCCn1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)nn1 ZINC000567465876 341608366 /nfs/dbraw/zinc/60/83/66/341608366.db2.gz SOURQCPZTCZNFW-UHFFFAOYSA-N -1 3 315.381 2.203 10 30 DEEEHM N#Cc1cccnc1N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179895930 526752810 /nfs/dbraw/zinc/75/28/10/526752810.db2.gz XFFAMYXRYSWSKX-UHFFFAOYSA-N -1 3 312.348 2.120 10 30 DEEEHM C=CCC(C)(C)C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000292789617 527018216 /nfs/dbraw/zinc/01/82/16/527018216.db2.gz RLBQZXWYWRXDOK-UHFFFAOYSA-N -1 3 305.831 2.263 10 30 DEEEHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(N)c(F)cc1Br ZINC000159703007 186136493 /nfs/dbraw/zinc/13/64/93/186136493.db2.gz MYPFRLPJRKWPQH-ZCFIWIBFSA-N -1 3 323.187 2.023 10 30 DEEEHM C=CC[C@@H](CO)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621942742 364602629 /nfs/dbraw/zinc/60/26/29/364602629.db2.gz FJFXZASXDFWAKE-SECBINFHSA-N -1 3 303.280 2.325 10 30 DEEEHM C=CC[C@@H](CO)NCc1ccc(OC)c([O-])c1Br ZINC000273881946 211141149 /nfs/dbraw/zinc/14/11/49/211141149.db2.gz XPFJXELVZFIASA-JTQLQIEISA-N -1 3 316.195 2.190 10 30 DEEEHM CS(=O)(=O)c1csc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000130086034 401817954 /nfs/dbraw/zinc/81/79/54/401817954.db2.gz HYVHNZPKZMWCOB-JTQLQIEISA-N -1 3 306.368 2.037 10 30 DEEEHM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000078239726 401844227 /nfs/dbraw/zinc/84/42/27/401844227.db2.gz MWNBRDHQRSPMTR-GFCCVEGCSA-N -1 3 323.418 2.346 10 30 DEEEHM CCCCCCC[C@@H](C)CNC(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000155631291 402263750 /nfs/dbraw/zinc/26/37/50/402263750.db2.gz DQLYNUDUCZWNOS-SFYCDEOASA-N -1 3 323.437 2.087 10 30 DEEEHM C=CC(C)(C)C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000451808794 405046722 /nfs/dbraw/zinc/04/67/22/405046722.db2.gz HHFNGATWNNSFGA-UHFFFAOYSA-N -1 3 315.391 2.174 10 30 DEEEHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C#N)o3)CCC2)n1 ZINC000568519500 292347451 /nfs/dbraw/zinc/34/74/51/292347451.db2.gz JAWONGQKIAZANR-UHFFFAOYSA-N -1 3 323.399 2.274 10 30 DEEEHM CN(C)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188234177 225014471 /nfs/dbraw/zinc/01/44/71/225014471.db2.gz DINJCDCLGGHWHT-INIZCTEOSA-N -1 3 309.369 2.297 10 30 DEEEHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000408336503 227232802 /nfs/dbraw/zinc/23/28/02/227232802.db2.gz AVVHVWLEVOAUIS-KWQFWETISA-N -1 3 302.758 2.450 10 30 DEEEHM C=CCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000368413488 527163730 /nfs/dbraw/zinc/16/37/30/527163730.db2.gz WITRJLXGCYLDGL-HNNXBMFYSA-N -1 3 316.401 2.469 10 30 DEEEHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2C#N)CC1(F)F ZINC000701775648 1086383776 /nfs/dbraw/zinc/38/37/76/1086383776.db2.gz OUGHLVGOUBLFNE-NSHDSACASA-N -1 3 304.293 2.021 10 30 DEEEHM C=CC[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000166018401 197686600 /nfs/dbraw/zinc/68/66/00/197686600.db2.gz XZSAVRVYYSSVFR-UHFFFAOYSA-N -1 3 311.146 2.366 10 30 DEEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000617040623 363006976 /nfs/dbraw/zinc/00/69/76/363006976.db2.gz WOELVRRUXIRFAL-IAQYHMDHSA-N -1 3 312.369 2.435 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000175193994 198441750 /nfs/dbraw/zinc/44/17/50/198441750.db2.gz SYPDXOSGZQQDCP-NEPJUHHUSA-N -1 3 315.417 2.443 10 30 DEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000599359737 359475609 /nfs/dbraw/zinc/47/56/09/359475609.db2.gz DKXCADBVNVQXLH-UHFFFAOYSA-N -1 3 315.391 2.255 10 30 DEEEHM C=CC(C)(C)CCNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000629427723 367197517 /nfs/dbraw/zinc/19/75/17/367197517.db2.gz PFHWMJLFIRSNAJ-UHFFFAOYSA-N -1 3 301.346 2.294 10 30 DEEEHM CC(C#N)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000043517914 183369593 /nfs/dbraw/zinc/36/95/93/183369593.db2.gz OWAWCVLHPNSPNZ-YFKPBYRVSA-N -1 3 308.142 2.377 10 30 DEEEHM CS[C@H](C)CC[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000158548900 197282415 /nfs/dbraw/zinc/28/24/15/197282415.db2.gz CZXAQEWPPJZSGM-SECBINFHSA-N -1 3 302.396 2.117 10 30 DEEEHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCO1 ZINC000156392659 197109764 /nfs/dbraw/zinc/10/97/64/197109764.db2.gz SUECFGAWJSSPOK-JOYOIKCWSA-N -1 3 314.794 2.057 10 30 DEEEHM CSCCCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000126329692 401689398 /nfs/dbraw/zinc/68/93/98/401689398.db2.gz JLGAAJYGCXWFIW-UHFFFAOYSA-N -1 3 321.446 2.055 10 30 DEEEHM CC(C)S(=O)(=O)[N-]c1cc(Cl)ccc1C#CCCO ZINC000131995009 196217313 /nfs/dbraw/zinc/21/73/13/196217313.db2.gz PVQYMXXMKPRHMA-UHFFFAOYSA-N -1 3 301.795 2.224 10 30 DEEEHM Cc1cccnc1C=CC([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000588456392 777218293 /nfs/dbraw/zinc/21/82/93/777218293.db2.gz DIPRMKFZFYZYCK-WSROAFLRSA-N -1 3 306.325 2.146 10 30 DEEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1ccncn1 ZINC000588468268 777238643 /nfs/dbraw/zinc/23/86/43/777238643.db2.gz RLZRBHWQFJHSBW-FWWRYZNZSA-N -1 3 303.325 2.253 10 30 DEEEHM C=CCCOCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000625164291 365667921 /nfs/dbraw/zinc/66/79/21/365667921.db2.gz ANAKFFKIORNQKA-UHFFFAOYSA-N -1 3 313.357 2.277 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625257042 365699715 /nfs/dbraw/zinc/69/97/15/365699715.db2.gz KLBZKIFFFAJHNW-QWRGUYRKSA-N -1 3 317.357 2.143 10 30 DEEEHM C[C@@H](C#N)CN(C)c1cc2c(cc1Br)C(=O)C(=O)[N-]2 ZINC000092773399 185339846 /nfs/dbraw/zinc/33/98/46/185339846.db2.gz KKJQRDFTBLNMST-ZETCQYMHSA-N -1 3 322.162 2.180 10 30 DEEEHM C[C@H](CC#N)N(C)c1cc2c(cc1Br)C(=O)C(=O)[N-]2 ZINC000092773548 185339933 /nfs/dbraw/zinc/33/99/33/185339933.db2.gz MKFIZAPYCAQTJU-SSDOTTSWSA-N -1 3 322.162 2.322 10 30 DEEEHM CCCCCCCOC(=S)[N-][C@]1(C)CCS(=O)(=O)C1 ZINC000059568459 354605683 /nfs/dbraw/zinc/60/56/83/354605683.db2.gz KKEYYXHVDGXFJA-CYBMUJFWSA-N -1 3 307.481 2.425 10 30 DEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000186655905 199987321 /nfs/dbraw/zinc/98/73/21/199987321.db2.gz HSCBNJZSIJFAAI-MRVPVSSYSA-N -1 3 310.202 2.209 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1CN=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631309661 368137440 /nfs/dbraw/zinc/13/74/40/368137440.db2.gz TVHCWAXCDINFBE-HOCLYGCPSA-N -1 3 321.384 2.216 10 30 DEEEHM NCC#Cc1cc(NC(=O)c2cncc([O-])c2)ccc1Cl ZINC000094671683 193391281 /nfs/dbraw/zinc/39/12/81/193391281.db2.gz NKFFHZTXEACBMG-UHFFFAOYSA-N -1 3 301.733 2.003 10 30 DEEEHM C=CCCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000489464138 406409350 /nfs/dbraw/zinc/40/93/50/406409350.db2.gz OJCUKTGARDWXLB-OAHLLOKOSA-N -1 3 322.430 2.068 10 30 DEEEHM CC(C)S(=O)(=O)[N-]c1ccc(Cl)cc1C#CCCO ZINC000131928098 196211151 /nfs/dbraw/zinc/21/11/51/196211151.db2.gz XJHSDMYQKOETHR-UHFFFAOYSA-N -1 3 301.795 2.224 10 30 DEEEHM C=C(C)c1ncnc2c1[n-]c(N)c2S(=O)(=O)c1ccccc1 ZINC000584638657 337379706 /nfs/dbraw/zinc/37/97/06/337379706.db2.gz DWFXJZCBWXSADJ-UHFFFAOYSA-N -1 3 314.370 2.406 10 30 DEEEHM N#Cc1nccn1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000179882471 526793605 /nfs/dbraw/zinc/79/36/05/526793605.db2.gz XHJYUPDHWIJHLM-UHFFFAOYSA-N -1 3 323.337 2.361 10 30 DEEEHM CC1(C)Oc2ccc(NC(=O)CN3CC(=O)[N-]C3=O)cc2O1 ZINC000329208030 527815187 /nfs/dbraw/zinc/81/51/87/527815187.db2.gz FKIBYJFSLWMZCO-UHFFFAOYSA-N -1 3 305.290 2.174 10 30 DEEEHM CC(C)([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)C(C)(F)F ZINC000720009890 1089423474 /nfs/dbraw/zinc/42/34/74/1089423474.db2.gz LGKINWVBOYWNTK-UHFFFAOYSA-N -1 3 306.309 2.409 10 30 DEEEHM CCc1ncc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)s1 ZINC000443230496 529759110 /nfs/dbraw/zinc/75/91/10/529759110.db2.gz XXXDJNIOQYEIKO-UHFFFAOYSA-N -1 3 313.448 2.314 10 30 DEEEHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(N)ccc1F ZINC000070430243 190889887 /nfs/dbraw/zinc/88/98/87/190889887.db2.gz UKZASGOKFGVLMR-UHFFFAOYSA-N -1 3 305.334 2.389 10 30 DEEEHM NCC#Cc1ccsc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000148658641 186045540 /nfs/dbraw/zinc/04/55/40/186045540.db2.gz VZOOAJCZJLWKIF-UHFFFAOYSA-N -1 3 320.801 2.347 10 30 DEEEHM CC(C)(C)CS(=O)(=O)[N-]c1ccc(C#CCCO)cc1F ZINC000080192514 192011262 /nfs/dbraw/zinc/01/12/62/192011262.db2.gz ZFSPGCUXNIAKQB-UHFFFAOYSA-N -1 3 313.394 2.347 10 30 DEEEHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2F)cc1 ZINC000092130583 193165999 /nfs/dbraw/zinc/16/59/99/193165999.db2.gz CCEWBVYSKOUFKT-UHFFFAOYSA-N -1 3 305.334 2.275 10 30 DEEEHM C=CCCS(=O)(=O)[N-]C1(c2noc(C(C)C)n2)CCCC1 ZINC000121232314 402022430 /nfs/dbraw/zinc/02/24/30/402022430.db2.gz CBHZYEFPMOMOSV-UHFFFAOYSA-N -1 3 313.423 2.458 10 30 DEEEHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000416634464 405203426 /nfs/dbraw/zinc/20/34/26/405203426.db2.gz NYKGQJKTZKVWOA-OAHLLOKOSA-N -1 3 319.430 2.369 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000518965829 406168815 /nfs/dbraw/zinc/16/88/15/406168815.db2.gz WMMMLSGZDHZNJX-JSGCOSHPSA-N -1 3 317.385 2.427 10 30 DEEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632544283 406176970 /nfs/dbraw/zinc/17/69/70/406176970.db2.gz BFKALXYCMUIWRS-NXEZZACHSA-N -1 3 302.421 2.262 10 30 DEEEHM N#C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CCN1C1CC1 ZINC000376882652 227176865 /nfs/dbraw/zinc/17/68/65/227176865.db2.gz UGIXFJGOIYTHTL-MRXNPFEDSA-N -1 3 321.380 2.358 10 30 DEEEHM COC(=O)c1cnc(SCc2ccc(OC)c(C#N)c2)[n-]1 ZINC000193537665 533709108 /nfs/dbraw/zinc/70/91/08/533709108.db2.gz UGBSVAPJBPZQGD-UHFFFAOYSA-N -1 3 303.343 2.369 10 30 DEEEHM C=CCCS(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)OCC ZINC000344088360 335216811 /nfs/dbraw/zinc/21/68/11/335216811.db2.gz QIPMINPBTYLCGS-LBPRGKRZSA-N -1 3 305.440 2.240 10 30 DEEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000716877020 793020669 /nfs/dbraw/zinc/02/06/69/793020669.db2.gz CAKWVFOSLXCRDY-SECBINFHSA-N -1 3 307.824 2.027 10 30 DEEEHM CC[C@@H](C#N)S(=O)(=O)[N-]Cc1sccc1Br ZINC000148262374 186044172 /nfs/dbraw/zinc/04/41/72/186044172.db2.gz APQFEZDDYZXYEL-ZETCQYMHSA-N -1 3 323.237 2.232 10 30 DEEEHM CCCCCCCCOC(=S)[N-][C@H]1CCS(=O)(=O)C1 ZINC000059568479 354605301 /nfs/dbraw/zinc/60/53/01/354605301.db2.gz DFDBSQILONVMGN-LBPRGKRZSA-N -1 3 307.481 2.425 10 30 DEEEHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(N)c1 ZINC000094187773 193347626 /nfs/dbraw/zinc/34/76/26/193347626.db2.gz VMGGSIPELDOOBF-MRVPVSSYSA-N -1 3 318.196 2.075 10 30 DEEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)s2)cs1 ZINC000328090147 145382342 /nfs/dbraw/zinc/38/23/42/145382342.db2.gz FMJWLNYKWPQJDH-UHFFFAOYSA-N -1 3 313.429 2.117 10 30 DEEEHM C=C(C)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000119154818 401929298 /nfs/dbraw/zinc/92/92/98/401929298.db2.gz QAWUYPDLOBTDLW-UHFFFAOYSA-N -1 3 304.755 2.411 10 30 DEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000186655889 402452162 /nfs/dbraw/zinc/45/21/62/402452162.db2.gz HSCBNJZSIJFAAI-QMMMGPOBSA-N -1 3 310.202 2.209 10 30 DEEEHM C=CCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436850170 405151684 /nfs/dbraw/zinc/15/16/84/405151684.db2.gz ZBYRIOVKQMXKJZ-AWEZNQCLSA-N -1 3 302.374 2.031 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CC2)cc1Cl ZINC000336973181 526681724 /nfs/dbraw/zinc/68/17/24/526681724.db2.gz RPCMESFGEVHBMW-UHFFFAOYSA-N -1 3 306.721 2.288 10 30 DEEEHM CCN1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1=O ZINC000801646638 645427056 /nfs/dbraw/zinc/42/70/56/645427056.db2.gz UUHMWIGAGBLBGO-LWHXSLQUSA-N -1 3 311.179 2.194 10 30 DEEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000716886421 793020514 /nfs/dbraw/zinc/02/05/14/793020514.db2.gz DXTAUJPETUAFGB-SNVBAGLBSA-N -1 3 322.213 2.310 10 30 DEEEHM N#Cc1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000706490122 1086639559 /nfs/dbraw/zinc/63/95/59/1086639559.db2.gz VYWKEOWDEFLBAK-MRVPVSSYSA-N -1 3 304.293 2.021 10 30 DEEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(N)cc1C#N)c1nccs1 ZINC000080256351 192017616 /nfs/dbraw/zinc/01/76/16/192017616.db2.gz YZWQHHJVRSXWJB-NSHDSACASA-N -1 3 322.415 2.027 10 30 DEEEHM O=S(=O)([N-]c1cc(C#CCO)ccc1Cl)c1ccccc1 ZINC000061691817 184182986 /nfs/dbraw/zinc/18/29/86/184182986.db2.gz QWYOUEZNMTWRLL-UHFFFAOYSA-N -1 3 321.785 2.485 10 30 DEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000281593907 403073014 /nfs/dbraw/zinc/07/30/14/403073014.db2.gz JPIPFEDUZCFACS-SECBINFHSA-N -1 3 310.202 2.209 10 30 DEEEHM C#CCC(CC#C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000288085445 403722093 /nfs/dbraw/zinc/72/20/93/403722093.db2.gz HPRQFPVWHBOCIT-UHFFFAOYSA-N -1 3 320.186 2.434 10 30 DEEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000289828700 404001543 /nfs/dbraw/zinc/00/15/43/404001543.db2.gz LBDQNSPRWCXBCI-LLVKDONJSA-N -1 3 315.391 2.316 10 30 DEEEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328658864 404126344 /nfs/dbraw/zinc/12/63/44/404126344.db2.gz RUXDEXDBGKJHGC-VXNVDRBHSA-N -1 3 305.313 2.496 10 30 DEEEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328658864 404126357 /nfs/dbraw/zinc/12/63/57/404126357.db2.gz RUXDEXDBGKJHGC-VXNVDRBHSA-N -1 3 305.313 2.496 10 30 DEEEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328658864 404126364 /nfs/dbraw/zinc/12/63/64/404126364.db2.gz RUXDEXDBGKJHGC-VXNVDRBHSA-N -1 3 305.313 2.496 10 30 DEEEHM C=C[C@@](C)(CC)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291486866 404399184 /nfs/dbraw/zinc/39/91/84/404399184.db2.gz GMAFCLMOZCVMOF-INIZCTEOSA-N -1 3 303.362 2.123 10 30 DEEEHM C=CCn1c(=O)[n-]nc1SCC(=O)[C@H]1Cc2ccccc21 ZINC000530283966 405778871 /nfs/dbraw/zinc/77/88/71/405778871.db2.gz ARLULSDTQMKIIC-LBPRGKRZSA-N -1 3 301.371 2.171 10 30 DEEEHM C=CCCCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000489464137 406409274 /nfs/dbraw/zinc/40/92/74/406409274.db2.gz OJCUKTGARDWXLB-HNNXBMFYSA-N -1 3 322.430 2.068 10 30 DEEEHM CCCCS(=O)(=O)[N-]c1cc(Cl)ccc1C#CCO ZINC000131979769 196215908 /nfs/dbraw/zinc/21/59/08/196215908.db2.gz XSMUTLWVINZINZ-UHFFFAOYSA-N -1 3 301.795 2.226 10 30 DEEEHM C=C(CC)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000452047780 338751997 /nfs/dbraw/zinc/75/19/97/338751997.db2.gz ZTZNBYVFLKJTLE-UHFFFAOYSA-N -1 3 317.794 2.371 10 30 DEEEHM C=CCN(CC(F)(F)F)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565181661 341519509 /nfs/dbraw/zinc/51/95/09/341519509.db2.gz PESOGDUSXLGAGY-UHFFFAOYSA-N -1 3 301.268 2.250 10 30 DEEEHM Cc1cccnc1C=CC([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000588456391 777218607 /nfs/dbraw/zinc/21/86/07/777218607.db2.gz DIPRMKFZFYZYCK-MEJMFZKBSA-N -1 3 306.325 2.146 10 30 DEEEHM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C#CCN)c1 ZINC000088716542 185263214 /nfs/dbraw/zinc/26/32/14/185263214.db2.gz VIFUXDMXTOSPQW-UHFFFAOYSA-N -1 3 300.383 2.106 10 30 DEEEHM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000614860265 362477081 /nfs/dbraw/zinc/47/70/81/362477081.db2.gz GBLGMHQSEJQESN-CQSZACIVSA-N -1 3 304.346 2.004 10 30 DEEEHM C=CCNC(=O)Cc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000350704956 356560712 /nfs/dbraw/zinc/56/07/12/356560712.db2.gz WGOFHXFZCKZMMT-UHFFFAOYSA-N -1 3 313.357 2.166 10 30 DEEEHM C=CCOCCCNC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000618524794 363515512 /nfs/dbraw/zinc/51/55/12/363515512.db2.gz PWDIHKMBFCZZCL-UHFFFAOYSA-N -1 3 303.362 2.284 10 30 DEEEHM C=CCOCCCNC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000618524794 363515515 /nfs/dbraw/zinc/51/55/15/363515515.db2.gz PWDIHKMBFCZZCL-UHFFFAOYSA-N -1 3 303.362 2.284 10 30 DEEEHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccncc1 ZINC000619548756 363823056 /nfs/dbraw/zinc/82/30/56/363823056.db2.gz QKIMZIBKNDVQCQ-SNVBAGLBSA-N -1 3 307.400 2.097 10 30 DEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000178870564 402548855 /nfs/dbraw/zinc/54/88/55/402548855.db2.gz OVGCQPMCZNXGOC-UHFFFAOYSA-N -1 3 319.361 2.003 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)C(C)C ZINC000172450017 402657206 /nfs/dbraw/zinc/65/72/06/402657206.db2.gz WDAXSYWVFVXLED-LLVKDONJSA-N -1 3 303.406 2.204 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000184463164 402845571 /nfs/dbraw/zinc/84/55/71/402845571.db2.gz AFMDROYRMMJCPY-AWEZNQCLSA-N -1 3 316.401 2.279 10 30 DEEEHM C=CCC1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CCC1 ZINC000291566087 404429486 /nfs/dbraw/zinc/42/94/86/404429486.db2.gz OLYJKVDFWCMDNF-UHFFFAOYSA-N -1 3 315.373 2.268 10 30 DEEEHM C#CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000129210150 196029764 /nfs/dbraw/zinc/02/97/64/196029764.db2.gz DQBIUFRNLXXZTC-ZETCQYMHSA-N -1 3 307.202 2.266 10 30 DEEEHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(N)c(F)c1 ZINC000131002204 196131067 /nfs/dbraw/zinc/13/10/67/196131067.db2.gz XIGBNOXZBOQPKA-UHFFFAOYSA-N -1 3 305.334 2.389 10 30 DEEEHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000408340647 227232946 /nfs/dbraw/zinc/23/29/46/227232946.db2.gz OWYMGQLSJXDXRF-WRWORJQWSA-N -1 3 304.293 2.074 10 30 DEEEHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n[n-]1 ZINC000189019776 333061121 /nfs/dbraw/zinc/06/11/21/333061121.db2.gz KXGDCISDCLXBGB-UHFFFAOYSA-N -1 3 324.340 2.128 10 30 DEEEHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)[n-]n1 ZINC000189019776 333061122 /nfs/dbraw/zinc/06/11/22/333061122.db2.gz KXGDCISDCLXBGB-UHFFFAOYSA-N -1 3 324.340 2.128 10 30 DEEEHM C=CCN(Cc1cccs1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338721302 526375622 /nfs/dbraw/zinc/37/56/22/526375622.db2.gz PRMMBOPXMQAZPV-UHFFFAOYSA-N -1 3 318.402 2.138 10 30 DEEEHM N#CCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304308696 635214865 /nfs/dbraw/zinc/21/48/65/635214865.db2.gz QFASXJUIKVKAIJ-UHFFFAOYSA-N -1 3 323.599 2.294 10 30 DEEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=Cc1ccncn1 ZINC000588468267 777238764 /nfs/dbraw/zinc/23/87/64/777238764.db2.gz RLZRBHWQFJHSBW-FMFIFOJESA-N -1 3 303.325 2.253 10 30 DEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(C)(C)C ZINC000702267450 1086419983 /nfs/dbraw/zinc/41/99/83/1086419983.db2.gz SISDXHLBDSAHAI-SNVBAGLBSA-N -1 3 304.774 2.200 10 30 DEEEHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)c1ncc[nH]1 ZINC000141341062 186029810 /nfs/dbraw/zinc/02/98/10/186029810.db2.gz WWUFJMDCQDHNPG-NSHDSACASA-N -1 3 324.793 2.364 10 30 DEEEHM O=C(CCCC1CCN(C(=O)NCc2ccccc2)CC1)N[O-] ZINC000071318147 354897626 /nfs/dbraw/zinc/89/76/26/354897626.db2.gz YHGLEBNSCHQGHL-UHFFFAOYSA-N -1 3 319.405 2.284 10 30 DEEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(N)cc1C#N)c1nccs1 ZINC000080256356 192017817 /nfs/dbraw/zinc/01/78/17/192017817.db2.gz YZWQHHJVRSXWJB-LLVKDONJSA-N -1 3 322.415 2.027 10 30 DEEEHM CCc1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000114740289 401809253 /nfs/dbraw/zinc/80/92/53/401809253.db2.gz PMYQKOJSBYXHMN-UHFFFAOYSA-N -1 3 321.427 2.364 10 30 DEEEHM CCc1nc(C[N-]S(=O)(=O)c2cccc(C#N)c2)cs1 ZINC000107704397 402238604 /nfs/dbraw/zinc/23/86/04/402238604.db2.gz SIDNLIUZIAZNBY-UHFFFAOYSA-N -1 3 307.400 2.056 10 30 DEEEHM C=C(C)C[C@@H](C)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000184710596 402293746 /nfs/dbraw/zinc/29/37/46/402293746.db2.gz HXHCBYQSCBCNMM-CYBMUJFWSA-N -1 3 304.390 2.231 10 30 DEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000186656080 402452059 /nfs/dbraw/zinc/45/20/59/402452059.db2.gz UUOYDAUQLHKNHS-MRVPVSSYSA-N -1 3 310.202 2.209 10 30 DEEEHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000289141872 403848998 /nfs/dbraw/zinc/84/89/98/403848998.db2.gz WKGHHEMCYXNZMP-SNVBAGLBSA-N -1 3 314.382 2.275 10 30 DEEEHM CC(=O)Nc1ccn([C@H]2CCN(Cc3nc(C)ccc3[O-])C2)n1 ZINC000328623391 404117842 /nfs/dbraw/zinc/11/78/42/404117842.db2.gz JAWKAXWQWQUYHA-ZDUSSCGKSA-N -1 3 315.377 2.347 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)s1 ZINC000435428996 404978416 /nfs/dbraw/zinc/97/84/16/404978416.db2.gz UJOJPVCFZHYUDF-QMMMGPOBSA-N -1 3 306.359 2.476 10 30 DEEEHM C#CC[C@@H](C)[N-]S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000129192096 196027248 /nfs/dbraw/zinc/02/72/48/196027248.db2.gz QXTSYGQGGOFMMR-SSDOTTSWSA-N -1 3 307.202 2.266 10 30 DEEEHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000341189752 527080078 /nfs/dbraw/zinc/08/00/78/527080078.db2.gz MNVOVOSCWQIEQY-SNVBAGLBSA-N -1 3 321.801 2.250 10 30 DEEEHM C#C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(C)(C)C ZINC000702267445 1086420300 /nfs/dbraw/zinc/42/03/00/1086420300.db2.gz SISDXHLBDSAHAI-JTQLQIEISA-N -1 3 304.774 2.200 10 30 DEEEHM C=CCCCN(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000076650451 185029177 /nfs/dbraw/zinc/02/91/77/185029177.db2.gz ZUNJFHDTDLJPHF-UHFFFAOYSA-N -1 3 314.382 2.235 10 30 DEEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000617040625 363006972 /nfs/dbraw/zinc/00/69/72/363006972.db2.gz WOELVRRUXIRFAL-XHDPSFHLSA-N -1 3 312.369 2.435 10 30 DEEEHM C=CCC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCOCC1 ZINC000618245843 363429870 /nfs/dbraw/zinc/42/98/70/363429870.db2.gz LRDVRCUMODTQSJ-UHFFFAOYSA-N -1 3 312.369 2.383 10 30 DEEEHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601428564 360038249 /nfs/dbraw/zinc/03/82/49/360038249.db2.gz BSTIXSDIMADEKN-UHFFFAOYSA-N -1 3 304.393 2.455 10 30 DEEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCCO1 ZINC000156392529 197109409 /nfs/dbraw/zinc/10/94/09/197109409.db2.gz SUECFGAWJSSPOK-SKDRFNHKSA-N -1 3 314.794 2.057 10 30 DEEEHM N#CC1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCOCC1 ZINC000186406076 402429229 /nfs/dbraw/zinc/42/92/29/402429229.db2.gz MVQFLMNHKVNFDT-UHFFFAOYSA-N -1 3 300.358 2.074 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCO2)c(Cl)c1 ZINC000169270428 402501306 /nfs/dbraw/zinc/50/13/06/402501306.db2.gz FBYLZJYNUBNJSP-NSHDSACASA-N -1 3 314.794 2.059 10 30 DEEEHM C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])C1 ZINC000633062274 406369511 /nfs/dbraw/zinc/36/95/11/406369511.db2.gz UJSXTPAXGUNPPE-VXGBXAGGSA-N -1 3 317.389 2.223 10 30 DEEEHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C#N)cc1F ZINC000408310236 227230692 /nfs/dbraw/zinc/23/06/92/227230692.db2.gz QZHSWIOSQLSQGE-BXKDBHETSA-N -1 3 300.330 2.244 10 30 DEEEHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000408339988 303160281 /nfs/dbraw/zinc/16/02/81/303160281.db2.gz MSOCTTVDNOPEOY-GZMMTYOYSA-N -1 3 302.758 2.450 10 30 DEEEHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000736342441 633603443 /nfs/dbraw/zinc/60/34/43/633603443.db2.gz RYCMDGWRHYTHSX-UHFFFAOYSA-N -1 3 324.185 2.157 10 30 DEEEHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1N ZINC000088467220 185251971 /nfs/dbraw/zinc/25/19/71/185251971.db2.gz WPOJTPZXRFSFBS-QMMMGPOBSA-N -1 3 307.297 2.331 10 30 DEEEHM C=C1CC(C)(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000630745216 367825573 /nfs/dbraw/zinc/82/55/73/367825573.db2.gz HCKHAUWEUMYZGS-KRWDZBQOSA-N -1 3 313.357 2.036 10 30 DEEEHM C=C1CC(C)(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000630745217 367825696 /nfs/dbraw/zinc/82/56/96/367825696.db2.gz HCKHAUWEUMYZGS-QGZVFWFLSA-N -1 3 313.357 2.036 10 30 DEEEHM N#Cc1c[nH]nc1[N-]C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000093334675 193233465 /nfs/dbraw/zinc/23/34/65/193233465.db2.gz OXBARDKMQIOZBV-UHFFFAOYSA-N -1 3 302.162 2.229 10 30 DEEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cscn1 ZINC000156935134 197151387 /nfs/dbraw/zinc/15/13/87/197151387.db2.gz GQZKYVILPQZILC-UHFFFAOYSA-N -1 3 313.791 2.147 10 30 DEEEHM O=C(CCC1=CCCN(CCCc2ccccc2)C1=O)N[O-] ZINC000028645164 401852817 /nfs/dbraw/zinc/85/28/17/401852817.db2.gz QVZVOPUKMAJJHD-UHFFFAOYSA-N -1 3 302.374 2.064 10 30 DEEEHM C=CCCS(=O)(=O)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000121226787 402021649 /nfs/dbraw/zinc/02/16/49/402021649.db2.gz RPUVUISXJBGKSV-UHFFFAOYSA-N -1 3 311.407 2.212 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000185410052 402350737 /nfs/dbraw/zinc/35/07/37/402350737.db2.gz CNIJRIMCDIJHJQ-GTNSWQLSSA-N -1 3 315.373 2.282 10 30 DEEEHM CN1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccccc1 ZINC000248937446 402615323 /nfs/dbraw/zinc/61/53/23/402615323.db2.gz NLERYCPQCDFHEB-SJLPKXTDSA-N -1 3 321.380 2.439 10 30 DEEEHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000408339990 405178205 /nfs/dbraw/zinc/17/82/05/405178205.db2.gz MSOCTTVDNOPEOY-KCJUWKMLSA-N -1 3 302.758 2.450 10 30 DEEEHM C=C[C@](C)(CCOC)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319996 405887027 /nfs/dbraw/zinc/88/70/27/405887027.db2.gz AOMHAYRCTJXAHE-QGZVFWFLSA-N -1 3 319.405 2.295 10 30 DEEEHM C=CCC1(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)CCCC1 ZINC000632419050 406129892 /nfs/dbraw/zinc/12/98/92/406129892.db2.gz UUAGLGZKQLDFKM-UHFFFAOYSA-N -1 3 302.421 2.264 10 30 DEEEHM N#Cc1cc([O-])c(OC(F)F)cc1I ZINC000575661532 406816253 /nfs/dbraw/zinc/81/62/53/406816253.db2.gz ICZOGOYDTOUURU-UHFFFAOYSA-N -1 3 311.025 2.470 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-]c2c(N)cc(F)cc2F)cc1 ZINC000132314253 196244087 /nfs/dbraw/zinc/24/40/87/196244087.db2.gz JPJCDRSREZBCQJ-UHFFFAOYSA-N -1 3 309.297 2.219 10 30 DEEEHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)cc1N ZINC000088467370 185251867 /nfs/dbraw/zinc/25/18/67/185251867.db2.gz HXNDGFCRAHKTCB-QMMMGPOBSA-N -1 3 318.196 2.075 10 30 DEEEHM C#CCN(CC(=O)[O-])[C@@H]1CCc2cc(Br)ccc2C1 ZINC000092491257 185322083 /nfs/dbraw/zinc/32/20/83/185322083.db2.gz JRGFHIAAZAFIOY-CQSZACIVSA-N -1 3 322.202 2.326 10 30 DEEEHM C=CCCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000594474091 358279178 /nfs/dbraw/zinc/27/91/78/358279178.db2.gz GDHKSAJEJAFKEL-UHFFFAOYSA-N -1 3 315.391 2.399 10 30 DEEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cscn1 ZINC000156934838 197150701 /nfs/dbraw/zinc/15/07/01/197150701.db2.gz ADJSRASRYXRONT-UHFFFAOYSA-N -1 3 313.791 2.147 10 30 DEEEHM CS(=O)(=O)c1csc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000130086263 401817885 /nfs/dbraw/zinc/81/78/85/401817885.db2.gz HYVHNZPKZMWCOB-SNVBAGLBSA-N -1 3 306.368 2.037 10 30 DEEEHM COc1cccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1[O-] ZINC000130327316 401827546 /nfs/dbraw/zinc/82/75/46/401827546.db2.gz YBAQQTRTGDHQRH-UHFFFAOYSA-N -1 3 324.336 2.176 10 30 DEEEHM CC(C)c1csc(C(C#N)=C([O-])c2cc(C(N)=O)cn2C)n1 ZINC000088817905 401934715 /nfs/dbraw/zinc/93/47/15/401934715.db2.gz GPMQGHKSDIFGDS-JTQLQIEISA-N -1 3 316.386 2.194 10 30 DEEEHM Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1[O-] ZINC000184280175 402832656 /nfs/dbraw/zinc/83/26/56/402832656.db2.gz BVQPWNIWSZMJCM-UHFFFAOYSA-N -1 3 319.324 2.405 10 30 DEEEHM C=CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000351574391 404651522 /nfs/dbraw/zinc/65/15/22/404651522.db2.gz AGACJARICHSVMP-UHFFFAOYSA-N -1 3 314.363 2.238 10 30 DEEEHM COc1cc(Cl)cc(CN2CCN(C3CC3)[C@H](C#N)C2)c1[O-] ZINC000360348907 404825839 /nfs/dbraw/zinc/82/58/39/404825839.db2.gz YIQDEGHMKPMXDH-CQSZACIVSA-N -1 3 321.808 2.226 10 30 DEEEHM CC1(C)Cc2ccc(C(=O)N3CCC(C#N)CC3)c([O-])c2O1 ZINC000408410553 281371935 /nfs/dbraw/zinc/37/19/35/281371935.db2.gz UJGGIIOXVVSGKL-UHFFFAOYSA-N -1 3 300.358 2.481 10 30 DEEEHM C=CCN(CC1CCCCC1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549310791 341290852 /nfs/dbraw/zinc/29/08/52/341290852.db2.gz NZWQPJSNCFPVMM-UHFFFAOYSA-N -1 3 318.421 2.457 10 30 DEEEHM CC1([N-]S(=O)(=O)c2cccc(F)c2C#N)CC(F)(F)C1 ZINC000720992069 1085280447 /nfs/dbraw/zinc/28/04/47/1085280447.db2.gz AMDLKTQXJZVDRY-UHFFFAOYSA-N -1 3 304.293 2.163 10 30 DEEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000594790647 358337122 /nfs/dbraw/zinc/33/71/22/358337122.db2.gz VRUBMICBAGOFHD-QWHCGFSZSA-N -1 3 305.403 2.366 10 30 DEEEHM CCC(CC)(CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160721179 197434476 /nfs/dbraw/zinc/43/44/76/197434476.db2.gz XGNZFNBWFOIBCO-UHFFFAOYSA-N -1 3 316.810 2.041 10 30 DEEEHM CS(=O)(=O)c1csc(C(=O)[N-]c2sccc2C#N)c1 ZINC000155517176 197063361 /nfs/dbraw/zinc/06/33/61/197063361.db2.gz WMCLYBNOZIMYGJ-UHFFFAOYSA-N -1 3 312.397 2.337 10 30 DEEEHM C=C(C)C[C@@H](C)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000185410074 402350806 /nfs/dbraw/zinc/35/08/06/402350806.db2.gz CNIJRIMCDIJHJQ-DIFFPNOSSA-N -1 3 315.373 2.282 10 30 DEEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000160879987 402363966 /nfs/dbraw/zinc/36/39/66/402363966.db2.gz NKPGQIDGWOIPSZ-MRVPVSSYSA-N -1 3 317.754 2.137 10 30 DEEEHM O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1csc(=O)[n-]1 ZINC000328647343 404122979 /nfs/dbraw/zinc/12/29/79/404122979.db2.gz HKKACTAOQNXTKR-CMPLNLGQSA-N -1 3 305.359 2.469 10 30 DEEEHM C=CC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452779470 405241763 /nfs/dbraw/zinc/24/17/63/405241763.db2.gz UBRALXZGQSVLLM-AWEZNQCLSA-N -1 3 316.401 2.325 10 30 DEEEHM C#CC[C@H](C)[N-]S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000129191872 196027718 /nfs/dbraw/zinc/02/77/18/196027718.db2.gz QXTSYGQGGOFMMR-ZETCQYMHSA-N -1 3 307.202 2.266 10 30 DEEEHM C#CC[C@H](CC)[N-]S(=O)(=O)c1ccc(CNC(C)(C)C)o1 ZINC000133222983 196323136 /nfs/dbraw/zinc/32/31/36/196323136.db2.gz OZOJJUHHLQXMQU-LBPRGKRZSA-N -1 3 312.435 2.248 10 30 DEEEHM C#CC[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000133896156 196344369 /nfs/dbraw/zinc/34/43/69/196344369.db2.gz LRZKTPNTSRWOTO-VIFPVBQESA-N -1 3 316.766 2.328 10 30 DEEEHM CC(C)n1cnc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000443221351 528616972 /nfs/dbraw/zinc/61/69/72/528616972.db2.gz CAWHQQFRAPXLTB-UHFFFAOYSA-N -1 3 310.423 2.072 10 30 DEEEHM C=C(COC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(=O)OCC ZINC000734028478 633312702 /nfs/dbraw/zinc/31/27/02/633312702.db2.gz CIUGCRONEIZQGR-UHFFFAOYSA-N -1 3 304.302 2.254 10 30 DEEEHM C=C(COC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C(=O)OCC ZINC000734028478 633312704 /nfs/dbraw/zinc/31/27/04/633312704.db2.gz CIUGCRONEIZQGR-UHFFFAOYSA-N -1 3 304.302 2.254 10 30 DEEEHM COc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)cc1C#N ZINC000746513962 638351657 /nfs/dbraw/zinc/35/16/57/638351657.db2.gz OWGOGKNMLZCZMJ-OCKHKDLRSA-N -1 3 311.341 2.087 10 30 DEEEHM Cc1ccc([O-])c(C(=O)NCc2sccc2C#CCO)c1 ZINC000148530766 186045039 /nfs/dbraw/zinc/04/50/39/186045039.db2.gz QFOSYCLLOLENRU-UHFFFAOYSA-N -1 3 301.367 2.036 10 30 DEEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594850294 358348593 /nfs/dbraw/zinc/34/85/93/358348593.db2.gz NOXMDXBALRUMNS-UHFFFAOYSA-N -1 3 314.794 2.083 10 30 DEEEHM Cc1nc(C)c(CCC(=O)NCC2CCC(C#N)CC2)c(=O)[n-]1 ZINC000441143159 238007849 /nfs/dbraw/zinc/00/78/49/238007849.db2.gz DMUGFLALTGSOPE-UHFFFAOYSA-N -1 3 316.405 2.178 10 30 DEEEHM C=CCC[C@H](CO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622095613 364661315 /nfs/dbraw/zinc/66/13/15/364661315.db2.gz VJXFIBRWMJSFJH-LLVKDONJSA-N -1 3 303.280 2.468 10 30 DEEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1COc2ccccc21 ZINC000156906679 197149279 /nfs/dbraw/zinc/14/92/79/197149279.db2.gz NTIGHTDWTHIXEF-CYBMUJFWSA-N -1 3 318.329 2.109 10 30 DEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000186658410 402452456 /nfs/dbraw/zinc/45/24/56/402452456.db2.gz FTKSYAKCIOUKHH-JTQLQIEISA-N -1 3 310.202 2.209 10 30 DEEEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1 ZINC000329483301 404352510 /nfs/dbraw/zinc/35/25/10/404352510.db2.gz FCMVACASEIWFGX-LERXQTSPSA-N -1 3 324.402 2.380 10 30 DEEEHM C=C(C)[C@@H](CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)OCC ZINC000636320789 405889523 /nfs/dbraw/zinc/88/95/23/405889523.db2.gz TXDDWIQJPVSLPA-CQSZACIVSA-N -1 3 319.405 2.437 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC1=CCCC1 ZINC000131432397 196167488 /nfs/dbraw/zinc/16/74/88/196167488.db2.gz LRIWMBVIPUPYRC-UHFFFAOYSA-N -1 3 313.401 2.413 10 30 DEEEHM N#Cc1cc(Br)ccc1[N-]C(=O)c1cnns1 ZINC000132491344 196259734 /nfs/dbraw/zinc/25/97/34/196259734.db2.gz UQBGJMZXNAHSQQ-UHFFFAOYSA-N -1 3 309.148 2.425 10 30 DEEEHM Cc1cc([N-]C(=O)Cn2c(C)nnc2-c2cccc(C#N)c2)on1 ZINC000194607320 225184411 /nfs/dbraw/zinc/18/44/11/225184411.db2.gz JUDPCLGGSXEIMW-UHFFFAOYSA-N -1 3 322.328 2.060 10 30 DEEEHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000408340662 227232770 /nfs/dbraw/zinc/23/27/70/227232770.db2.gz OYURJYQXTSBLPA-PSASIEDQSA-N -1 3 302.758 2.450 10 30 DEEEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C#N)c(F)cc1F ZINC000408421967 227234398 /nfs/dbraw/zinc/23/43/98/227234398.db2.gz DFXSUGAHLABFQE-JOYOIKCWSA-N -1 3 300.330 2.244 10 30 DEEEHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1ccnc(Cl)c1 ZINC000255866296 625900715 /nfs/dbraw/zinc/90/07/15/625900715.db2.gz KBDLXUZSXOGRIY-OTDNITJGSA-N -1 3 314.732 2.073 10 30 DEEEHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1ccnc(Cl)c1 ZINC000181321462 648613128 /nfs/dbraw/zinc/61/31/28/648613128.db2.gz KBDLXUZSXOGRIY-VUDBWIFFSA-N -1 3 314.732 2.073 10 30 DEEEHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720020424 1089423248 /nfs/dbraw/zinc/42/32/48/1089423248.db2.gz AQOFYEWFLYXFNV-ZETCQYMHSA-N -1 3 310.272 2.317 10 30 DEEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625279608 365712120 /nfs/dbraw/zinc/71/21/20/365712120.db2.gz JNTURVWXLZBRPB-UHFFFAOYSA-N -1 3 305.346 2.144 10 30 DEEEHM CC[C@H](C#N)S(=O)(=O)[N-]Cc1sccc1Br ZINC000148262499 186044069 /nfs/dbraw/zinc/04/40/69/186044069.db2.gz APQFEZDDYZXYEL-SSDOTTSWSA-N -1 3 323.237 2.232 10 30 DEEEHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1C#N)c1nccs1 ZINC000080276843 192020095 /nfs/dbraw/zinc/02/00/95/192020095.db2.gz OEFOGISRNGPFLN-JTQLQIEISA-N -1 3 307.400 2.195 10 30 DEEEHM C=CCOCCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000618527010 363516909 /nfs/dbraw/zinc/51/69/09/363516909.db2.gz XZHJVJSAQFOAMF-UHFFFAOYSA-N -1 3 305.374 2.428 10 30 DEEEHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)noc1C ZINC000285426008 403293545 /nfs/dbraw/zinc/29/35/45/403293545.db2.gz WDVYFWRBRBQTKA-HNNXBMFYSA-N -1 3 318.398 2.204 10 30 DEEEHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000308567990 403957297 /nfs/dbraw/zinc/95/72/97/403957297.db2.gz SNJRXXYHHXFSGC-UHFFFAOYSA-N -1 3 316.810 2.305 10 30 DEEEHM C=CCOc1ccc(C(=O)NCc2ncccc2[O-])cc1OC ZINC000352515023 404428769 /nfs/dbraw/zinc/42/87/69/404428769.db2.gz DWCWNTUUESFFKF-UHFFFAOYSA-N -1 3 314.341 2.291 10 30 DEEEHM C=CCn1c(=O)[n-]nc1SCC(=O)[C@@H]1Cc2ccccc21 ZINC000530283965 405779036 /nfs/dbraw/zinc/77/90/36/405779036.db2.gz ARLULSDTQMKIIC-GFCCVEGCSA-N -1 3 301.371 2.171 10 30 DEEEHM C=C(CC)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000456814047 277810158 /nfs/dbraw/zinc/81/01/58/277810158.db2.gz SOYLMDDBLUAZBG-CQSZACIVSA-N -1 3 302.374 2.079 10 30 DEEEHM C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccc1[O-] ZINC000805781990 643249148 /nfs/dbraw/zinc/24/91/48/643249148.db2.gz FTJNBXLVPYYADK-HNNXBMFYSA-N -1 3 309.369 2.221 10 30 DEEEHM C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc2n[n-]nc21 ZINC000804451959 645773294 /nfs/dbraw/zinc/77/32/94/645773294.db2.gz BECPQNJQQRQSLU-CQSZACIVSA-N -1 3 304.353 2.322 10 30 DEEEHM CCn1cnc(S(=O)(=O)[N-]C2(C#N)CCCCCCC2)c1 ZINC000092910109 185348449 /nfs/dbraw/zinc/34/84/49/185348449.db2.gz SYJVBRXBRQWRBK-UHFFFAOYSA-N -1 3 310.423 2.188 10 30 DEEEHM CC(=O)c1cccc(NC(=O)CC2(C#N)CCOCC2)c1[O-] ZINC000614861364 362477049 /nfs/dbraw/zinc/47/70/49/362477049.db2.gz NCRMPOVVQVSPLV-UHFFFAOYSA-N -1 3 302.330 2.244 10 30 DEEEHM C=CCCS(=O)(=O)[N-][C@@H](C(=O)OCC)C1CCCCCC1 ZINC000594482809 358281305 /nfs/dbraw/zinc/28/13/05/358281305.db2.gz ZELCKYJVCIEQRT-CQSZACIVSA-N -1 3 317.451 2.384 10 30 DEEEHM C=CC[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000160151208 197389688 /nfs/dbraw/zinc/38/96/88/197389688.db2.gz FEBLLCDFAYNZOB-JTQLQIEISA-N -1 3 302.252 2.246 10 30 DEEEHM Cn1cc(-c2ncc(C([O-])=C(C#N)c3ccccn3)s2)cn1 ZINC000112222586 194443120 /nfs/dbraw/zinc/44/31/20/194443120.db2.gz ZZRPMZOTSRAVII-NSHDSACASA-N -1 3 309.354 2.429 10 30 DEEEHM N#CC1([N-]S(=O)(=O)C[C@H]2CCCO2)CCCCCCC1 ZINC000063155888 184274508 /nfs/dbraw/zinc/27/45/08/184274508.db2.gz JACJSVNPBRZYKB-CYBMUJFWSA-N -1 3 300.424 2.091 10 30 DEEEHM CC#CCC[N-]S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000158274439 197259002 /nfs/dbraw/zinc/25/90/02/197259002.db2.gz YGANKSNHVIVBIJ-UHFFFAOYSA-N -1 3 307.202 2.267 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000184563769 402276667 /nfs/dbraw/zinc/27/66/67/402276667.db2.gz QICGLSOSMNSRTB-AWEZNQCLSA-N -1 3 316.401 2.279 10 30 DEEEHM COc1ccc([O-])c(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173890718 402717359 /nfs/dbraw/zinc/71/73/59/402717359.db2.gz AAFCZZRAMGZIPG-UHFFFAOYSA-N -1 3 312.325 2.081 10 30 DEEEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)ccc1C#N ZINC000295154930 403777770 /nfs/dbraw/zinc/77/77/70/403777770.db2.gz CHUJVFOTFYWVEL-UHFFFAOYSA-N -1 3 306.309 2.486 10 30 DEEEHM N#Cc1cc([O-])cc(I)c1OC(F)F ZINC000575661750 406816475 /nfs/dbraw/zinc/81/64/75/406816475.db2.gz KZDBCJGNDVTUIT-UHFFFAOYSA-N -1 3 311.025 2.470 10 30 DEEEHM CC(C)CS(=O)(=O)[N-]c1cc(Cl)ccc1C#CCO ZINC000131990444 196216900 /nfs/dbraw/zinc/21/69/00/196216900.db2.gz NUJVMBPIDCYXOV-UHFFFAOYSA-N -1 3 301.795 2.082 10 30 DEEEHM CC(C)CS(=O)(=O)[N-]c1cc(Cl)ccc1C#CCN ZINC000132029597 196220466 /nfs/dbraw/zinc/22/04/66/196220466.db2.gz PCQOTJLJOFMQAM-UHFFFAOYSA-N -1 3 300.811 2.048 10 30 DEEEHM N#Cc1ccc(Cl)cc1N1CC[C@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600879961 425047270 /nfs/dbraw/zinc/04/72/70/425047270.db2.gz LTBNZUPMALNKCG-JTQLQIEISA-N -1 3 315.764 2.283 10 30 DEEEHM C=C(Br)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000049281015 637534720 /nfs/dbraw/zinc/53/47/20/637534720.db2.gz XIKLMJHHDZTHOO-UHFFFAOYSA-N -1 3 307.147 2.167 10 30 DEEEHM N#CC1CCC(CNC(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000442985650 782419432 /nfs/dbraw/zinc/41/94/32/782419432.db2.gz XJBUUCLCJBFRQN-UHFFFAOYSA-N -1 3 302.330 2.181 10 30 DEEEHM N#Cc1cccc(Oc2[n-]c(=NN)ncc2Br)c1 ZINC000087880810 185234459 /nfs/dbraw/zinc/23/44/59/185234459.db2.gz KGILTTHPUPBNNF-UHFFFAOYSA-N -1 3 306.123 2.189 10 30 DEEEHM N#Cc1cccc(Oc2nc(=NN)[n-]cc2Br)c1 ZINC000087880810 185234460 /nfs/dbraw/zinc/23/44/60/185234460.db2.gz KGILTTHPUPBNNF-UHFFFAOYSA-N -1 3 306.123 2.189 10 30 DEEEHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#CCN)c(F)c2)s1 ZINC000088083313 185239263 /nfs/dbraw/zinc/23/92/63/185239263.db2.gz XFPYVOUWFFMJOH-UHFFFAOYSA-N -1 3 324.402 2.307 10 30 DEEEHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C#CCN)s1 ZINC000164269001 186154081 /nfs/dbraw/zinc/15/40/81/186154081.db2.gz VYOAENFMRLUVQJ-UHFFFAOYSA-N -1 3 320.439 2.476 10 30 DEEEHM C=C[C@@H]1OCCC[C@H]1N=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631300776 368131994 /nfs/dbraw/zinc/13/19/94/368131994.db2.gz KFJPHTNGLMAXLR-ZBFHGGJFSA-N -1 3 321.384 2.359 10 30 DEEEHM CC(=O)O/N=C(/c1cc(F)ccc1[O-])C1CCN(C(C)=O)CC1 ZINC000059602915 184139302 /nfs/dbraw/zinc/13/93/02/184139302.db2.gz OZILBVTVQBXLTN-FBMGVBCBSA-N -1 3 322.336 2.057 10 30 in-vitro DEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000186653498 402451422 /nfs/dbraw/zinc/45/14/22/402451422.db2.gz UXABJYSLAMMQAN-VIFPVBQESA-N -1 3 310.202 2.209 10 30 DEEEHM C=C(C)CN1CCC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000352269322 404256247 /nfs/dbraw/zinc/25/62/47/404256247.db2.gz MTQOYCFYOQAPNU-UHFFFAOYSA-N -1 3 319.361 2.071 10 30 DEEEHM C=CCCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000129254269 196032600 /nfs/dbraw/zinc/03/26/00/196032600.db2.gz WUNDCTJECZYVCN-HNNXBMFYSA-N -1 3 316.401 2.421 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000175194012 424863361 /nfs/dbraw/zinc/86/33/61/424863361.db2.gz SYPDXOSGZQQDCP-RYUDHWBXSA-N -1 3 315.417 2.443 10 30 DEEEHM COc1ccc(C(=O)NCc2ccc(OC)c(C#N)c2)c([O-])c1 ZINC000747071564 638404595 /nfs/dbraw/zinc/40/45/95/638404595.db2.gz ZHMZTTDDSMKQLU-UHFFFAOYSA-N -1 3 312.325 2.211 10 30 DEEEHM CC(C)(NCC(=O)Nc1sccc1C#N)C(C)(C)C(=O)[O-] ZINC000087626279 185229428 /nfs/dbraw/zinc/22/94/28/185229428.db2.gz VPLYDIVJKQRCEO-UHFFFAOYSA-N -1 3 309.391 2.037 10 30 DEEEHM C[C@@H]1CCC[C@@H](C)N1[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000147790247 186042121 /nfs/dbraw/zinc/04/21/21/186042121.db2.gz HUUZRLAIKYSLIA-GHMZBOCLSA-N -1 3 311.382 2.154 10 30 DEEEHM CC(C)(C)CS(=O)(=O)[N-]c1ccc(F)cc1C#CCCO ZINC000080192551 192011313 /nfs/dbraw/zinc/01/13/13/192011313.db2.gz GBFWNZUSEDMARO-UHFFFAOYSA-N -1 3 313.394 2.347 10 30 DEEEHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673933 192310183 /nfs/dbraw/zinc/31/01/83/192310183.db2.gz CGOUROCZQTWFJR-OIBJUYFYSA-N -1 3 320.201 2.359 10 30 DEEEHM C=CCC1([N-]S(=O)(=O)c2ccsc2C#N)CCOCC1 ZINC000594844491 358347781 /nfs/dbraw/zinc/34/77/81/358347781.db2.gz GYUVKZCEKOFCNA-UHFFFAOYSA-N -1 3 312.416 2.023 10 30 DEEEHM C=CC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000160259749 197395716 /nfs/dbraw/zinc/39/57/16/197395716.db2.gz PDAGHSQKXRDFHE-VIFPVBQESA-N -1 3 302.252 2.246 10 30 DEEEHM CN(Cc1csc(C#CCO)c1)C(=O)c1ccc([O-])cc1 ZINC000042363678 183258960 /nfs/dbraw/zinc/25/89/60/183258960.db2.gz DTOHWILQGWTYFQ-UHFFFAOYSA-N -1 3 301.367 2.070 10 30 DEEEHM CSCCCC[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000157746499 197212516 /nfs/dbraw/zinc/21/25/16/197212516.db2.gz KPPZFJLCWUTIKL-UHFFFAOYSA-N -1 3 302.396 2.119 10 30 DEEEHM C=CCN(CCOC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436584621 405105044 /nfs/dbraw/zinc/10/50/44/405105044.db2.gz JLVPGVDZHIFREZ-UHFFFAOYSA-N -1 3 305.374 2.380 10 30 DEEEHM C#CC[C@H](CC)[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000129165518 196025702 /nfs/dbraw/zinc/02/57/02/196025702.db2.gz QUGYCBOZOXVNRT-QMMMGPOBSA-N -1 3 304.774 2.142 10 30 DEEEHM Cn1cc(C#N)c([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000131903702 196208909 /nfs/dbraw/zinc/20/89/09/196208909.db2.gz BGWSDCWCJKPJEX-UHFFFAOYSA-N -1 3 305.681 2.106 10 30 DEEEHM COC(=O)c1ccccc1NC(=O)C([O-])=CC(=O)C(C)(C)C ZINC000101022297 424846283 /nfs/dbraw/zinc/84/62/83/424846283.db2.gz WASXMLQZZHBOEK-XFXZXTDPSA-N -1 3 305.330 2.469 10 30 DEEEHM COC(=O)c1ccccc1NC(=O)C(=O)C=C([O-])C(C)(C)C ZINC000101022297 424846285 /nfs/dbraw/zinc/84/62/85/424846285.db2.gz WASXMLQZZHBOEK-XFXZXTDPSA-N -1 3 305.330 2.469 10 30 DEEEHM C#C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000390433096 685439982 /nfs/dbraw/zinc/43/99/82/685439982.db2.gz FXCPBZAUAFZBTE-SSDOTTSWSA-N -1 3 322.611 2.403 10 30 DEEEHM C=CCCCCC[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625271178 365707478 /nfs/dbraw/zinc/70/74/78/365707478.db2.gz KSIHOVZTNAPFTK-UHFFFAOYSA-N -1 3 320.418 2.292 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C1CCCC1 ZINC000172095059 198038381 /nfs/dbraw/zinc/03/83/81/198038381.db2.gz GJZDYMCSABEWQX-GFCCVEGCSA-N -1 3 315.417 2.491 10 30 DEEEHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)CN1CC(=O)[N-]C1=O ZINC000329387183 539919201 /nfs/dbraw/zinc/91/92/01/539919201.db2.gz STEWWAMJCCLXIF-NSHDSACASA-N -1 3 303.318 2.086 10 30 DEEEHM CCCCCCCOC(=S)[N-][C@@]1(C)CCS(=O)(=O)C1 ZINC000059568460 354605416 /nfs/dbraw/zinc/60/54/16/354605416.db2.gz KKEYYXHVDGXFJA-ZDUSSCGKSA-N -1 3 307.481 2.425 10 30 DEEEHM CC(C)(C)CS(=O)(=O)[N-]c1sc2c(c1C#N)CCNC2 ZINC000080191554 192011012 /nfs/dbraw/zinc/01/10/12/192011012.db2.gz LTTPGSFVFGZRJC-UHFFFAOYSA-N -1 3 313.448 2.053 10 30 DEEEHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c[nH]1 ZINC000610469980 361404284 /nfs/dbraw/zinc/40/42/84/361404284.db2.gz AOAYGXYWJUFVBG-UHFFFAOYSA-N -1 3 322.365 2.022 10 30 DEEEHM Cc1ccc(S(=O)(=O)NN=Cc2ccccc2[O-])cc1C ZINC000254567474 402671408 /nfs/dbraw/zinc/67/14/08/402671408.db2.gz SQHPVXUIUSIASD-UHFFFAOYSA-N -1 3 304.371 2.321 10 30 DEEEHM C=CCC[C@@H](CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000456765531 405556238 /nfs/dbraw/zinc/55/62/38/405556238.db2.gz KCVCHUODNGKMSR-LBPRGKRZSA-N -1 3 305.374 2.163 10 30 DEEEHM C=C(C)C[C@@H](C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291456146 222399729 /nfs/dbraw/zinc/39/97/29/222399729.db2.gz CZNHCGZGOMMDNY-SNVBAGLBSA-N -1 3 303.362 2.123 10 30 DEEEHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000408336504 227232048 /nfs/dbraw/zinc/23/20/48/227232048.db2.gz AVVHVWLEVOAUIS-LDYMZIIASA-N -1 3 302.758 2.450 10 30 DEEEHM CCC1CCC(C#N)([N-]S(=O)(=O)CCOC(C)C)CC1 ZINC000093666013 193287356 /nfs/dbraw/zinc/28/73/56/193287356.db2.gz PYNXCJDFIDMBOG-UHFFFAOYSA-N -1 3 302.440 2.193 10 30 DEEEHM COc1ccc([O-])c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000130397857 401830434 /nfs/dbraw/zinc/83/04/34/401830434.db2.gz RWOIAGAAFUDMQL-UHFFFAOYSA-N -1 3 324.336 2.176 10 30 DEEEHM C=C(C)CS(=O)(=O)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000189692025 402552961 /nfs/dbraw/zinc/55/29/61/402552961.db2.gz ZBDYQVMFFKVSDE-UHFFFAOYSA-N -1 3 311.407 2.212 10 30 DEEEHM C=CCCCN(C)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000287456608 403603217 /nfs/dbraw/zinc/60/32/17/403603217.db2.gz DAHXPDHIVSCIPC-UHFFFAOYSA-N -1 3 324.402 2.206 10 30 DEEEHM C=CCOc1ccc(CNC(=O)NCc2ncccc2[O-])cc1 ZINC000347133212 403617557 /nfs/dbraw/zinc/61/75/57/403617557.db2.gz MUTNKCFNOQMCQZ-UHFFFAOYSA-N -1 3 313.357 2.351 10 30 DEEEHM C=CCC[C@H](CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000456765529 405555992 /nfs/dbraw/zinc/55/59/92/405555992.db2.gz KCVCHUODNGKMSR-GFCCVEGCSA-N -1 3 305.374 2.163 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000571040267 406470008 /nfs/dbraw/zinc/47/00/08/406470008.db2.gz ZFGYFZAKNRJCKE-LRDDRELGSA-N -1 3 312.369 2.157 10 30 DEEEHM C=CCS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000134196540 196370376 /nfs/dbraw/zinc/37/03/76/196370376.db2.gz VNESRDAQWNZDPL-CYBMUJFWSA-N -1 3 311.403 2.175 10 30 DEEEHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C#N)cc1F ZINC000408310241 227230868 /nfs/dbraw/zinc/23/08/68/227230868.db2.gz QZHSWIOSQLSQGE-JOYOIKCWSA-N -1 3 300.330 2.244 10 30 DEEEHM CC(C)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c([O-])c1 ZINC000732679323 647641502 /nfs/dbraw/zinc/64/15/02/647641502.db2.gz YABLLZAQCGMQQC-HNNXBMFYSA-N -1 3 313.401 2.328 10 30 DEEEHM COCCCS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000088191936 185241246 /nfs/dbraw/zinc/24/12/46/185241246.db2.gz GCYKFXXDTOJYEN-UHFFFAOYSA-N -1 3 322.308 2.355 10 30 DEEEHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1N ZINC000088467222 185251941 /nfs/dbraw/zinc/25/19/41/185251941.db2.gz WPOJTPZXRFSFBS-MRVPVSSYSA-N -1 3 307.297 2.331 10 30 DEEEHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(N)c(F)c2)cc1 ZINC000148717932 186045378 /nfs/dbraw/zinc/04/53/78/186045378.db2.gz CCRXYLQWCZVBRM-UHFFFAOYSA-N -1 3 305.334 2.275 10 30 DEEEHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(N)cc(Br)c1F ZINC000159692317 186135942 /nfs/dbraw/zinc/13/59/42/186135942.db2.gz GGXFLLHGQRLUIY-ZCFIWIBFSA-N -1 3 323.187 2.023 10 30 DEEEHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(N)c(F)cc1Br ZINC000159702878 186136517 /nfs/dbraw/zinc/13/65/17/186136517.db2.gz MYPFRLPJRKWPQH-LURJTMIESA-N -1 3 323.187 2.023 10 30 DEEEHM Nc1cccc(NC(=O)N2CCC(CCCC(=O)N[O-])CC2)c1 ZINC000036475794 354165153 /nfs/dbraw/zinc/16/51/53/354165153.db2.gz AHBUBJIHYMRKNS-UHFFFAOYSA-N -1 3 320.393 2.188 10 30 DEEEHM CC(C)c1nc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c[nH]1 ZINC000619681805 363852820 /nfs/dbraw/zinc/85/28/20/363852820.db2.gz PTXDINMENVTBKR-UHFFFAOYSA-N -1 3 310.423 2.141 10 30 DEEEHM C#CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000157840997 197219418 /nfs/dbraw/zinc/21/94/18/197219418.db2.gz ZRTHWDPRDRWHCD-MRVPVSSYSA-N -1 3 320.183 2.278 10 30 DEEEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(F)c2C#N)n[n-]1 ZINC000188469176 145012859 /nfs/dbraw/zinc/01/28/59/145012859.db2.gz ZRXDDDWUYCZMBB-UHFFFAOYSA-N -1 3 310.292 2.073 10 30 DEEEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(F)c2C#N)[n-]n1 ZINC000188469176 145012861 /nfs/dbraw/zinc/01/28/61/145012861.db2.gz ZRXDDDWUYCZMBB-UHFFFAOYSA-N -1 3 310.292 2.073 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)s1 ZINC000230340846 402350568 /nfs/dbraw/zinc/35/05/68/402350568.db2.gz ZILYZRXZIFDVKT-LLVKDONJSA-N -1 3 306.368 2.032 10 30 DEEEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435430740 404980261 /nfs/dbraw/zinc/98/02/61/404980261.db2.gz FIMMJMHSCIWDQB-CYBMUJFWSA-N -1 3 322.411 2.286 10 30 DEEEHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000407996490 227226201 /nfs/dbraw/zinc/22/62/01/227226201.db2.gz FMVARWNKXXWSBX-PELKAZGASA-N -1 3 302.758 2.450 10 30 DEEEHM N#Cc1cc(Cl)ccc1N1CC[C@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600879842 425047878 /nfs/dbraw/zinc/04/78/78/425047878.db2.gz KIATYJVXDTZNOH-VIFPVBQESA-N -1 3 315.764 2.283 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000545929724 341146882 /nfs/dbraw/zinc/14/68/82/341146882.db2.gz PYJHLVPZVIEXIE-GTNSWQLSSA-N -1 3 315.373 2.282 10 30 DEEEHM O=C(c1ccc([O-])cc1)N1CCN(CC#Cc2ccccc2)CC1 ZINC000192084656 534715487 /nfs/dbraw/zinc/71/54/87/534715487.db2.gz CEDFYNKSOHHSPQ-UHFFFAOYSA-N -1 3 320.392 2.202 10 30 DEEEHM C[C@H](CCNCC(=O)Nc1sccc1C#N)CCC(=O)[O-] ZINC000087676149 185230324 /nfs/dbraw/zinc/23/03/24/185230324.db2.gz QQTRUJGAAVHEBZ-JTQLQIEISA-N -1 3 309.391 2.039 10 30 DEEEHM C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000617043061 363008188 /nfs/dbraw/zinc/00/81/88/363008188.db2.gz YZSUHBZRDIKXRV-BBRMVZONSA-N -1 3 316.401 2.373 10 30 DEEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000617043064 363008250 /nfs/dbraw/zinc/00/82/50/363008250.db2.gz YZSUHBZRDIKXRV-XJKSGUPXSA-N -1 3 316.401 2.373 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000581648802 357221377 /nfs/dbraw/zinc/22/13/77/357221377.db2.gz LVSOPIKOWIAJQU-NEPJUHHUSA-N -1 3 319.785 2.409 10 30 DEEEHM C=CCn1c(=O)[n-]nc1S[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000601078614 359914162 /nfs/dbraw/zinc/91/41/62/359914162.db2.gz NDYXCIQEWQQMLA-JTQLQIEISA-N -1 3 311.407 2.382 10 30 DEEEHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610149747 361363258 /nfs/dbraw/zinc/36/32/58/361363258.db2.gz TWDUNZCXORIBIC-UHFFFAOYSA-N -1 3 312.354 2.315 10 30 DEEEHM N#Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000063911976 184290573 /nfs/dbraw/zinc/29/05/73/184290573.db2.gz TXYUQVUNIDSSON-UHFFFAOYSA-N -1 3 323.355 2.006 10 30 DEEEHM CC#CCC[N-]S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000158273852 197258890 /nfs/dbraw/zinc/25/88/90/197258890.db2.gz QWRDCJJHVZYJDW-UHFFFAOYSA-N -1 3 307.202 2.267 10 30 DEEEHM CSCCCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157745865 197212239 /nfs/dbraw/zinc/21/22/39/197212239.db2.gz RRTXGEDDPZZZFQ-UHFFFAOYSA-N -1 3 302.396 2.119 10 30 DEEEHM Cc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000156632978 197128795 /nfs/dbraw/zinc/12/87/95/197128795.db2.gz MGXISQLYLQSITP-UHFFFAOYSA-N -1 3 321.789 2.394 10 30 DEEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nccs1 ZINC000078004521 401837949 /nfs/dbraw/zinc/83/79/49/401837949.db2.gz WMGKDXSJYFCEDX-LBPRGKRZSA-N -1 3 307.400 2.444 10 30 DEEEHM CC(C)c1csc(C(C#N)=C([O-])c2cc(C(N)=O)cn2C)n1 ZINC000088817906 401934696 /nfs/dbraw/zinc/93/46/96/401934696.db2.gz GPMQGHKSDIFGDS-SNVBAGLBSA-N -1 3 316.386 2.194 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)C(C)C ZINC000172450024 402657004 /nfs/dbraw/zinc/65/70/04/402657004.db2.gz WDAXSYWVFVXLED-NSHDSACASA-N -1 3 303.406 2.204 10 30 DEEEHM CCCSc1nnc(NN=Cc2cccc(OC)c2O)[n-]1 ZINC000254612684 402671263 /nfs/dbraw/zinc/67/12/63/402671263.db2.gz WOPIOHTZVDKVPY-UHFFFAOYSA-N -1 3 307.379 2.467 10 30 DEEEHM CCCSc1nnc([N-][NH+]=Cc2cccc(OC)c2O)[n-]1 ZINC000254612684 402671267 /nfs/dbraw/zinc/67/12/67/402671267.db2.gz WOPIOHTZVDKVPY-UHFFFAOYSA-N -1 3 307.379 2.467 10 30 DEEEHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)noc1C ZINC000285426011 403293900 /nfs/dbraw/zinc/29/39/00/403293900.db2.gz WDVYFWRBRBQTKA-OAHLLOKOSA-N -1 3 318.398 2.204 10 30 DEEEHM C#Cc1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000295511812 403965839 /nfs/dbraw/zinc/96/58/39/403965839.db2.gz PYABHIAPUKPSNB-UHFFFAOYSA-N -1 3 309.369 2.029 10 30 DEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000349964716 404276664 /nfs/dbraw/zinc/27/66/64/404276664.db2.gz KROTWTOAAOGJIH-LBPRGKRZSA-N -1 3 324.427 2.025 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000425182314 405254968 /nfs/dbraw/zinc/25/49/68/405254968.db2.gz ZVZIBCAITXFXPN-GWCFXTLKSA-N -1 3 317.357 2.143 10 30 DEEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632302082 406085443 /nfs/dbraw/zinc/08/54/43/406085443.db2.gz XFOUJOYGWHYHPF-MRVPVSSYSA-N -1 3 311.329 2.072 10 30 DEEEHM C=CCN(CC(F)(F)F)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436537308 643548284 /nfs/dbraw/zinc/54/82/84/643548284.db2.gz DTSPJDYUOCBUJV-UHFFFAOYSA-N -1 3 303.236 2.311 10 30 DEEEHM O=C(NCc1sccc1C#CCCO)c1ccc([O-])cc1 ZINC000148593316 186044978 /nfs/dbraw/zinc/04/49/78/186044978.db2.gz JEYRQUJFQJRZPY-UHFFFAOYSA-N -1 3 301.367 2.118 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C1CCCC1 ZINC000172095054 198038745 /nfs/dbraw/zinc/03/87/45/198038745.db2.gz GJZDYMCSABEWQX-LBPRGKRZSA-N -1 3 315.417 2.491 10 30 DEEEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(N2CCCCC2)cn1 ZINC000329411129 539920211 /nfs/dbraw/zinc/92/02/11/539920211.db2.gz BRPCMNYQIXRXKR-UHFFFAOYSA-N -1 3 317.349 2.052 10 30 DEEEHM C=CCSCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000599224989 359435829 /nfs/dbraw/zinc/43/58/29/359435829.db2.gz GLUWRQBWMINUMV-UHFFFAOYSA-N -1 3 307.387 2.471 10 30 DEEEHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccncc1 ZINC000610518339 361415061 /nfs/dbraw/zinc/41/50/61/361415061.db2.gz AMLMWBGXAGVLFM-NSHDSACASA-N -1 3 319.361 2.174 10 30 DEEEHM C=CC[C@@H]1CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000628489836 366865072 /nfs/dbraw/zinc/86/50/72/366865072.db2.gz IVIYRSGLKKNYLZ-CQSZACIVSA-N -1 3 316.401 2.245 10 30 DEEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000622135095 364676246 /nfs/dbraw/zinc/67/62/46/364676246.db2.gz WTIUISRGTZPFSK-XJKSGUPXSA-N -1 3 316.401 2.373 10 30 DEEEHM CC(C)(C)OCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000308568087 291692566 /nfs/dbraw/zinc/69/25/66/291692566.db2.gz UXXJLDQFWDCGBW-UHFFFAOYSA-N -1 3 316.810 2.305 10 30 DEEEHM CC(C)(Cn1c2cccc(C#N)c2[n-]c1=S)S(C)(=O)=O ZINC000126097735 195809585 /nfs/dbraw/zinc/80/95/85/195809585.db2.gz NOMBXNFWPCTJFR-UHFFFAOYSA-N -1 3 309.416 2.020 10 30 DEEEHM C=CCc1cccc(C(C)C)c1NC(=O)CN1CC(=O)[N-]C1=O ZINC000356845583 404706490 /nfs/dbraw/zinc/70/64/90/404706490.db2.gz XSVWWJBCGLNYTG-UHFFFAOYSA-N -1 3 315.373 2.029 10 30 DEEEHM C=CCCn1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)nn1 ZINC000584168907 424988628 /nfs/dbraw/zinc/98/86/28/424988628.db2.gz WTCLEJSVXWZIFF-UHFFFAOYSA-N -1 3 315.377 2.926 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000583930678 331473289 /nfs/dbraw/zinc/47/32/89/331473289.db2.gz AUGUBKLHKKZQSW-IUCAKERBSA-N -1 3 307.824 2.271 10 30 DEEEHM C=CCC(C)(C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000294682350 526996970 /nfs/dbraw/zinc/99/69/70/526996970.db2.gz MAKHUYNXVXJHJZ-UHFFFAOYSA-N -1 3 303.362 2.123 10 30 DEEEHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1ccnc(Cl)c1 ZINC000181321480 625266056 /nfs/dbraw/zinc/26/60/56/625266056.db2.gz KBDLXUZSXOGRIY-KXMPLOMGSA-N -1 3 314.732 2.073 10 30 DEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000805147054 639840967 /nfs/dbraw/zinc/84/09/67/639840967.db2.gz QPRORIFYLKVQHY-LLVKDONJSA-N -1 3 305.321 2.430 10 30 DEEEHM N#Cc1ccccc1Oc1[n-]c(=NN)ncc1Br ZINC000087881004 185234435 /nfs/dbraw/zinc/23/44/35/185234435.db2.gz XKIVOQGNVVNMKE-UHFFFAOYSA-N -1 3 306.123 2.189 10 30 DEEEHM N#Cc1ccccc1Oc1nc(=NN)[n-]cc1Br ZINC000087881004 185234436 /nfs/dbraw/zinc/23/44/36/185234436.db2.gz XKIVOQGNVVNMKE-UHFFFAOYSA-N -1 3 306.123 2.189 10 30 DEEEHM C=CCNC(=S)N/N=C/c1cc(Br)ccc1[O-] ZINC000006293461 181327236 /nfs/dbraw/zinc/32/72/36/181327236.db2.gz GUTDAZJLDXFFDD-VGOFMYFVSA-N -1 3 314.208 2.139 10 30 DEEEHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]/N=C/c2ccccc2F)c1 ZINC000006889414 181402215 /nfs/dbraw/zinc/40/22/15/181402215.db2.gz ULFJUYZACKAPBP-OQLLNIDSSA-N -1 3 323.305 2.046 10 30 DEEEHM C=C1CC(C)(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000630639511 367770000 /nfs/dbraw/zinc/77/00/00/367770000.db2.gz BBPHKLGNKPKSLN-UHFFFAOYSA-N -1 3 312.366 2.492 10 30 DEEEHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(N)ccc1Br ZINC000159285029 197342176 /nfs/dbraw/zinc/34/21/76/197342176.db2.gz RIOISLJDVUMSJE-QMMMGPOBSA-N -1 3 318.196 2.075 10 30 DEEEHM C=C(C)CS(=O)(=O)[N-][C@H](CCCC)C(=O)OC(C)(C)C ZINC000189822426 402560241 /nfs/dbraw/zinc/56/02/41/402560241.db2.gz SXTIQAXIWLVLFK-GFCCVEGCSA-N -1 3 305.440 2.382 10 30 DEEEHM COc1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1[O-] ZINC000173886527 402716977 /nfs/dbraw/zinc/71/69/77/402716977.db2.gz PCRCJWJTADLRHH-UHFFFAOYSA-N -1 3 312.325 2.081 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C)CCC1 ZINC000175085726 402778079 /nfs/dbraw/zinc/77/80/79/402778079.db2.gz ZPMUWRYONXCLQY-UHFFFAOYSA-N -1 3 301.390 2.102 10 30 DEEEHM Cc1ccc([O-])c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183687348 402789523 /nfs/dbraw/zinc/78/95/23/402789523.db2.gz ZZKHBVZNRSFJJO-UHFFFAOYSA-N -1 3 319.324 2.405 10 30 DEEEHM C=C(Cl)C[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000265478820 402922842 /nfs/dbraw/zinc/92/28/42/402922842.db2.gz OXGBCDTXRYLZHP-UHFFFAOYSA-N -1 3 324.185 2.142 10 30 DEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000349964714 404276711 /nfs/dbraw/zinc/27/67/11/404276711.db2.gz KROTWTOAAOGJIH-GFCCVEGCSA-N -1 3 324.427 2.025 10 30 DEEEHM C=CCOc1cc(OC)ccc1C(=O)NCc1ncccc1[O-] ZINC000352508051 404422514 /nfs/dbraw/zinc/42/25/14/404422514.db2.gz LOJINJZEPVZTFD-UHFFFAOYSA-N -1 3 314.341 2.291 10 30 DEEEHM Cc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000102122922 649936794 /nfs/dbraw/zinc/93/67/94/649936794.db2.gz LLUUAVMJPCFYCC-ZDUSSCGKSA-N -1 3 324.296 2.259 10 30 DEEEHM CCOc1ccc(S(=O)(=O)N/N=C/c2ccccc2[O-])cc1 ZINC000002654266 180944869 /nfs/dbraw/zinc/94/48/69/180944869.db2.gz HTFUSSUWITZVBZ-LFIBNONCSA-N -1 3 320.370 2.103 10 30 DEEEHM C#CCCN1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000068444140 354811848 /nfs/dbraw/zinc/81/18/48/354811848.db2.gz AXICNGPAVAEPPL-UHFFFAOYSA-N -1 3 312.413 2.052 10 30 DEEEHM Cc1cc2c(ccn2-c2[nH]c(=O)[n-]c(=O)c2C(C)C)c(C#N)c1 ZINC000116313386 355774071 /nfs/dbraw/zinc/77/40/71/355774071.db2.gz LYNMAXKONHXWGL-UHFFFAOYSA-N -1 3 308.341 2.311 10 30 DEEEHM C=CCOCCCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000618523899 363516000 /nfs/dbraw/zinc/51/60/00/363516000.db2.gz UZVKLULHUPJKAY-UHFFFAOYSA-N -1 3 318.348 2.298 10 30 DEEEHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccncc1 ZINC000610518338 361414985 /nfs/dbraw/zinc/41/49/85/361414985.db2.gz AMLMWBGXAGVLFM-LLVKDONJSA-N -1 3 319.361 2.174 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622089191 364659346 /nfs/dbraw/zinc/65/93/46/364659346.db2.gz LHQGUPAPLKMSCD-NEPJUHHUSA-N -1 3 301.264 2.484 10 30 DEEEHM C=C1CC(C)(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000631725242 368359689 /nfs/dbraw/zinc/35/96/89/368359689.db2.gz QJIVOLYECJQDHV-UHFFFAOYSA-N -1 3 314.385 2.033 10 30 DEEEHM N#Cc1ccccc1CS(=O)(=O)[N-]c1cc(F)ccc1N ZINC000063209204 184278316 /nfs/dbraw/zinc/27/83/16/184278316.db2.gz AEWIGPVNWQWGER-UHFFFAOYSA-N -1 3 305.334 2.221 10 30 DEEEHM CCSC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000158956781 197314453 /nfs/dbraw/zinc/31/44/53/197314453.db2.gz SSKQJGVEFJBNDE-SECBINFHSA-N -1 3 302.396 2.117 10 30 DEEEHM COc1cc(C(=O)N2CCC(C)(C#N)CC2)cc(OC)c1[O-] ZINC000356991666 533515065 /nfs/dbraw/zinc/51/50/65/533515065.db2.gz UJYAUQMDANKEKR-UHFFFAOYSA-N -1 3 304.346 2.175 10 30 DEEEHM C=C(C)CN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000125712877 402246435 /nfs/dbraw/zinc/24/64/35/402246435.db2.gz ZSKRMAKQXJJCDF-OAHLLOKOSA-N -1 3 316.401 2.421 10 30 DEEEHM CN1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@@H]1c1cccnc1 ZINC000328632724 404119519 /nfs/dbraw/zinc/11/95/19/404119519.db2.gz SBPNUIVQLLTDLN-BBRMVZONSA-N -1 3 312.373 2.180 10 30 DEEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632544285 406176786 /nfs/dbraw/zinc/17/67/86/406176786.db2.gz BFKALXYCMUIWRS-VHSXEESVSA-N -1 3 302.421 2.262 10 30 DEEEHM Cn1c(C(C#N)=C([O-])c2ccnc(C#N)c2)nc2ccccc21 ZINC000193510087 225161738 /nfs/dbraw/zinc/16/17/38/225161738.db2.gz APIOCQBOFDOFSV-ZDUSSCGKSA-N -1 3 301.309 2.330 10 30 DEEEHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000407996492 227226210 /nfs/dbraw/zinc/22/62/10/227226210.db2.gz FMVARWNKXXWSBX-PRHODGIISA-N -1 3 302.758 2.450 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000563681462 334377550 /nfs/dbraw/zinc/37/75/50/334377550.db2.gz QARGUGBILLKGJY-OLZOCXBDSA-N -1 3 303.358 2.179 10 30 DEEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)(C)C ZINC000805148573 639848677 /nfs/dbraw/zinc/84/86/77/639848677.db2.gz FZUGPVRZBGAFOL-SNVBAGLBSA-N -1 3 316.404 2.291 10 30 DEEEHM N#Cc1ccc(Oc2[n-]c(=NN)ncc2Br)cc1 ZINC000087883787 185234395 /nfs/dbraw/zinc/23/43/95/185234395.db2.gz WNZJXCKZBHXEPP-UHFFFAOYSA-N -1 3 306.123 2.189 10 30 DEEEHM N#Cc1ccc(Oc2nc(=NN)[n-]cc2Br)cc1 ZINC000087883787 185234396 /nfs/dbraw/zinc/23/43/96/185234396.db2.gz WNZJXCKZBHXEPP-UHFFFAOYSA-N -1 3 306.123 2.189 10 30 DEEEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000329502616 539921480 /nfs/dbraw/zinc/92/14/80/539921480.db2.gz YWVBRQWRWSONKP-NSHDSACASA-N -1 3 321.308 2.388 10 30 DEEEHM Cc1nc2c(s1)CCC[C@H]2CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000328644767 356465382 /nfs/dbraw/zinc/46/53/82/356465382.db2.gz ZHRHMLGWVRXRAY-IUCAKERBSA-N -1 3 322.390 2.471 10 30 DEEEHM C=CCN(Cc1cccs1)C(=O)CN(C)CCCC(=O)[O-] ZINC000042717920 183302023 /nfs/dbraw/zinc/30/20/23/183302023.db2.gz XUCJEEBLJWLYNL-UHFFFAOYSA-N -1 3 310.419 2.059 10 30 DEEEHM C=CCC1(C(=O)Nc2nnc(-c3ccccn3)[n-]2)CCOCC1 ZINC000425149379 405251266 /nfs/dbraw/zinc/25/12/66/405251266.db2.gz WEIKOXYDZMTVSB-UHFFFAOYSA-N -1 3 313.361 2.178 10 30 DEEEHM C=CCC1(C(=O)Nc2nc(-c3ccccn3)n[n-]2)CCOCC1 ZINC000425149379 405251269 /nfs/dbraw/zinc/25/12/69/405251269.db2.gz WEIKOXYDZMTVSB-UHFFFAOYSA-N -1 3 313.361 2.178 10 30 DEEEHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccccn3)n2)CCOCC1 ZINC000425149379 405251270 /nfs/dbraw/zinc/25/12/70/405251270.db2.gz WEIKOXYDZMTVSB-UHFFFAOYSA-N -1 3 313.361 2.178 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000425177259 405254432 /nfs/dbraw/zinc/25/44/32/405254432.db2.gz FGXNUYOMVHEBGP-ONGXEEELSA-N -1 3 319.785 2.349 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000175194030 424863370 /nfs/dbraw/zinc/86/33/70/424863370.db2.gz SYPDXOSGZQQDCP-VXGBXAGGSA-N -1 3 315.417 2.443 10 30 DEEEHM C=C(C)CN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000125712633 337413515 /nfs/dbraw/zinc/41/35/15/337413515.db2.gz ZSKRMAKQXJJCDF-HNNXBMFYSA-N -1 3 316.401 2.421 10 30 DEEEHM NS(=O)(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000005287331 787093673 /nfs/dbraw/zinc/09/36/73/787093673.db2.gz CDWIMTMNEAKWNZ-RQZCQDPDSA-N -1 3 324.789 2.312 10 30 DEEEHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(N)cc1C#N ZINC000088188771 185241313 /nfs/dbraw/zinc/24/13/13/185241313.db2.gz MSKXHAOSPMELBU-UHFFFAOYSA-N -1 3 322.777 2.298 10 30 DEEEHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(N)cc(Br)c1F ZINC000159692143 186135897 /nfs/dbraw/zinc/13/58/97/186135897.db2.gz GGXFLLHGQRLUIY-LURJTMIESA-N -1 3 323.187 2.023 10 30 DEEEHM CCCCCCCCOC(=S)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000059568478 354605208 /nfs/dbraw/zinc/60/52/08/354605208.db2.gz DFDBSQILONVMGN-GFCCVEGCSA-N -1 3 307.481 2.425 10 30 DEEEHM C=CCCSCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000594818050 358343492 /nfs/dbraw/zinc/34/34/92/358343492.db2.gz RYDMKKOQVOCUQO-UHFFFAOYSA-N -1 3 302.446 2.207 10 30 DEEEHM C=C1CC(C)(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000631794939 368392292 /nfs/dbraw/zinc/39/22/92/368392292.db2.gz BKBBSSONOSKYKG-UHFFFAOYSA-N -1 3 314.385 2.033 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc32)s1 ZINC000230340848 132552942 /nfs/dbraw/zinc/55/29/42/132552942.db2.gz ZILYZRXZIFDVKT-NSHDSACASA-N -1 3 306.368 2.032 10 30 DEEEHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nccs1 ZINC000078004530 401838005 /nfs/dbraw/zinc/83/80/05/401838005.db2.gz SNFYFOVPNZOHHD-GFCCVEGCSA-N -1 3 307.400 2.444 10 30 DEEEHM N#Cc1ccc(CS(=O)(=O)[N-]c2c(N)cccc2F)cc1 ZINC000132327227 196245895 /nfs/dbraw/zinc/24/58/95/196245895.db2.gz UEMCBRZLLZMWMR-UHFFFAOYSA-N -1 3 305.334 2.221 10 30 DEEEHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000408340642 303159661 /nfs/dbraw/zinc/15/96/61/303159661.db2.gz OWYMGQLSJXDXRF-CPCISQLKSA-N -1 3 304.293 2.074 10 30 DEEEHM C=CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000447932450 527234106 /nfs/dbraw/zinc/23/41/06/527234106.db2.gz RYXHIOHJJICVNY-UHFFFAOYSA-N -1 3 304.755 2.493 10 30 DEEEHM C=CCN(CC(=O)OCC)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000321784903 640385010 /nfs/dbraw/zinc/38/50/10/640385010.db2.gz SQSUECGIWDUXCO-UHFFFAOYSA-N -1 3 314.341 2.132 10 30 DEEEHM CN1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccccc1 ZINC000188735830 529806309 /nfs/dbraw/zinc/80/63/09/529806309.db2.gz NLERYCPQCDFHEB-WMZOPIPTSA-N -1 3 321.380 2.439 10 30 DEEEHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000617040624 363006837 /nfs/dbraw/zinc/00/68/37/363006837.db2.gz WOELVRRUXIRFAL-NHYWBVRUSA-N -1 3 312.369 2.435 10 30 DEEEHM CCCCCCCOC(=S)[N-]C[C@H]1CCS(=O)(=O)C1 ZINC000059568467 354605484 /nfs/dbraw/zinc/60/54/84/354605484.db2.gz UTKIUTNKAMMNKT-GFCCVEGCSA-N -1 3 307.481 2.283 10 30 DEEEHM CCOC(=O)c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n[n-]1 ZINC000183277646 356165525 /nfs/dbraw/zinc/16/55/25/356165525.db2.gz LAEVQZXSFQSBLJ-UHFFFAOYSA-N -1 3 324.340 2.394 10 30 DEEEHM CCOC(=O)c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)[n-]n1 ZINC000183277646 356165528 /nfs/dbraw/zinc/16/55/28/356165528.db2.gz LAEVQZXSFQSBLJ-UHFFFAOYSA-N -1 3 324.340 2.394 10 30 DEEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000601502347 360055588 /nfs/dbraw/zinc/05/55/88/360055588.db2.gz OENGWBARVBSAQX-MRVPVSSYSA-N -1 3 323.823 2.188 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)s1 ZINC000443220524 238109555 /nfs/dbraw/zinc/10/95/55/238109555.db2.gz AEGPRWDZUCEWGF-UHFFFAOYSA-N -1 3 309.416 2.228 10 30 DEEEHM N/C(=N\[O-])c1ccc(Sc2nnc3n2CCCCC3)cc1 ZINC000019983517 182173476 /nfs/dbraw/zinc/17/34/76/182173476.db2.gz JQAPSVYSMVWNAI-UHFFFAOYSA-N -1 3 303.391 2.250 10 30 DEEEHM Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2[O-])c(C)c1 ZINC000020357071 182211042 /nfs/dbraw/zinc/21/10/42/182211042.db2.gz UPBKWCNKRGKOTJ-MHWRWJLKSA-N -1 3 304.371 2.321 10 30 DEEEHM CN(Cc1csc(C#CCO)c1)C(=O)c1ccccc1[O-] ZINC000042363863 183259095 /nfs/dbraw/zinc/25/90/95/183259095.db2.gz LNWABSHQZSAGDG-UHFFFAOYSA-N -1 3 301.367 2.070 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC1(C)C ZINC000077353939 401811671 /nfs/dbraw/zinc/81/16/71/401811671.db2.gz NNEJNDJYTIFHLN-UHFFFAOYSA-N -1 3 301.390 2.197 10 30 DEEEHM COc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c([O-])c1 ZINC000130397604 401830466 /nfs/dbraw/zinc/83/04/66/401830466.db2.gz PKKQKIPEYBKGOS-UHFFFAOYSA-N -1 3 324.336 2.176 10 30 DEEEHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000452022327 405128560 /nfs/dbraw/zinc/12/85/60/405128560.db2.gz KXEYFVHPBMDKAE-SNVBAGLBSA-N -1 3 321.801 2.393 10 30 DEEEHM C=CCCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000568241473 406216855 /nfs/dbraw/zinc/21/68/55/406216855.db2.gz NUXLPRIMAFPSMF-UHFFFAOYSA-N -1 3 315.391 2.399 10 30 DEEEHM CCCCCCCCCN(C)C(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000155663950 424862294 /nfs/dbraw/zinc/86/22/94/424862294.db2.gz SEIFUJJAUKIYAN-UHFFFAOYSA-N -1 3 323.437 2.184 10 30 DEEEHM C=CC[C@H](CC)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000374156696 527160875 /nfs/dbraw/zinc/16/08/75/527160875.db2.gz DBSNCZLGYSOGFE-DZGCQCFKSA-N -1 3 316.401 2.468 10 30 DEEEHM C=CC[C@H](CO)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188104559 527207130 /nfs/dbraw/zinc/20/71/30/527207130.db2.gz MXLGZUTVOXWOPA-MRVPVSSYSA-N -1 3 311.794 2.458 10 30 DEEEHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccncc1 ZINC000611025366 361514707 /nfs/dbraw/zinc/51/47/07/361514707.db2.gz UQMSITXIHFEPNW-NSHDSACASA-N -1 3 319.361 2.174 10 30 DEEEHM CC#CCC[N-]S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000158267400 197258197 /nfs/dbraw/zinc/25/81/97/197258197.db2.gz SNJKBYRIUFRBST-UHFFFAOYSA-N -1 3 307.202 2.267 10 30 DEEEHM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc(C#N)s2)C[C@@H](C)O1 ZINC000355510525 133030419 /nfs/dbraw/zinc/03/04/19/133030419.db2.gz KEUINEAUYZYWOO-NXEZZACHSA-N -1 3 314.432 2.102 10 30 DEEEHM N#CC1(NC(=O)c2cc3c(cc2[O-])CCCC3)CCOCC1 ZINC000271218550 403281159 /nfs/dbraw/zinc/28/11/59/403281159.db2.gz CGMLUQDLIABEPL-UHFFFAOYSA-N -1 3 300.358 2.074 10 30 DEEEHM C=CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436797735 405141119 /nfs/dbraw/zinc/14/11/19/405141119.db2.gz PCUUSCONGCECCS-AWEZNQCLSA-N -1 3 302.374 2.079 10 30 DEEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000567265207 406095324 /nfs/dbraw/zinc/09/53/24/406095324.db2.gz DCYSVSCGBGQBIC-OAHLLOKOSA-N -1 3 311.403 2.418 10 30 DEEEHM C#CC[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000133896367 196344672 /nfs/dbraw/zinc/34/46/72/196344672.db2.gz LRZKTPNTSRWOTO-SECBINFHSA-N -1 3 316.766 2.328 10 30 DEEEHM C[C@@H](CC#N)N(C)c1cc2c(cc1Br)C(=O)C(=O)[N-]2 ZINC000092773547 185339863 /nfs/dbraw/zinc/33/98/63/185339863.db2.gz MKFIZAPYCAQTJU-ZETCQYMHSA-N -1 3 322.162 2.322 10 30 DEEEHM C=CCCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599410563 359491310 /nfs/dbraw/zinc/49/13/10/359491310.db2.gz BOKONJGVZJWSPW-HNNXBMFYSA-N -1 3 317.451 2.384 10 30 DEEEHM C=CCSCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601321790 360007604 /nfs/dbraw/zinc/00/76/04/360007604.db2.gz SHZLVZVWNUYRMJ-UHFFFAOYSA-N -1 3 322.433 2.162 10 30 DEEEHM C=C(C)C[C@H](NC(=O)c1cc(SC)ccc1[O-])C(=O)OC ZINC000601786513 360149560 /nfs/dbraw/zinc/14/95/60/360149560.db2.gz XYZLJQOIDHTIKF-LBPRGKRZSA-N -1 3 309.387 2.352 10 30 DEEEHM CC(C#N)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000043517916 183369577 /nfs/dbraw/zinc/36/95/77/183369577.db2.gz OWAWCVLHPNSPNZ-RXMQYKEDSA-N -1 3 308.142 2.377 10 30 DEEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000714 184384310 /nfs/dbraw/zinc/38/43/10/184384310.db2.gz IRKZZCCVJQDBRL-UHFFFAOYSA-N -1 3 323.355 2.006 10 30 DEEEHM O=C(N[O-])/C(=C\c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000035274073 401897589 /nfs/dbraw/zinc/89/75/89/401897589.db2.gz HJPWSHCUMPAXLD-GDNBJRDFSA-N -1 3 314.316 2.031 10 30 DEEEHM C=CC[C@H](CO)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436618566 405110157 /nfs/dbraw/zinc/11/01/57/405110157.db2.gz SHMZDUCDVRYDII-NSHDSACASA-N -1 3 305.374 2.020 10 30 DEEEHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc2n[n-]nc21 ZINC000804451958 645773155 /nfs/dbraw/zinc/77/31/55/645773155.db2.gz BECPQNJQQRQSLU-AWEZNQCLSA-N -1 3 304.353 2.322 10 30 DEEEHM Cc1ccc(C#CCN)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000164270381 186154447 /nfs/dbraw/zinc/15/44/47/186154447.db2.gz QVQJHGXPUJZCHX-UHFFFAOYSA-N -1 3 306.412 2.168 10 30 DEEEHM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000329556893 539922913 /nfs/dbraw/zinc/92/29/13/539922913.db2.gz KYYXENDVVGSRGP-GXFFZTMASA-N -1 3 311.382 2.176 10 30 DEEEHM O=C(CCCC1CCN(c2nc3ccccc3[nH]2)CC1)N[O-] ZINC000036475301 354165315 /nfs/dbraw/zinc/16/53/15/354165315.db2.gz OBWNZEPVDGOYJD-UHFFFAOYSA-N -1 3 302.378 2.455 10 30 DEEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000594790645 358337222 /nfs/dbraw/zinc/33/72/22/358337222.db2.gz VRUBMICBAGOFHD-CHWSQXEVSA-N -1 3 305.403 2.366 10 30 DEEEHM COc1ccc(O)c(C=NNc2nnc(SC(C)C)[n-]2)c1 ZINC000005911260 401730854 /nfs/dbraw/zinc/73/08/54/401730854.db2.gz AOVQVZKUIBOZDN-VGOFMYFVSA-N -1 3 307.379 2.465 10 30 DEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000186658432 402451956 /nfs/dbraw/zinc/45/19/56/402451956.db2.gz FTKSYAKCIOUKHH-SNVBAGLBSA-N -1 3 310.202 2.209 10 30 DEEEHM C#CCCN1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000273266303 402988763 /nfs/dbraw/zinc/98/87/63/402988763.db2.gz CXBVNNJSJMJOHI-UHFFFAOYSA-N -1 3 312.413 2.052 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000425179275 405254447 /nfs/dbraw/zinc/25/44/47/405254447.db2.gz PGFYPWPNYGMSJZ-ZANVPECISA-N -1 3 319.785 2.349 10 30 DEEEHM C=C(C)[C@H](CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)OCC ZINC000636320786 405889126 /nfs/dbraw/zinc/88/91/26/405889126.db2.gz TXDDWIQJPVSLPA-AWEZNQCLSA-N -1 3 319.405 2.437 10 30 DEEEHM C=CCCCCCNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000571178928 406488533 /nfs/dbraw/zinc/48/85/33/406488533.db2.gz SXRGQSAWFJYCPY-UHFFFAOYSA-N -1 3 301.346 2.438 10 30 DEEEHM C=CCCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000129254524 196032590 /nfs/dbraw/zinc/03/25/90/196032590.db2.gz WUNDCTJECZYVCN-OAHLLOKOSA-N -1 3 316.401 2.421 10 30 DEEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000186650176 332940783 /nfs/dbraw/zinc/94/07/83/332940783.db2.gz ILWHLDNDXUOZRL-SECBINFHSA-N -1 3 307.774 2.003 10 30 DEEEHM N#Cc1cc(F)cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000720034304 1089425644 /nfs/dbraw/zinc/42/56/44/1089425644.db2.gz YXXZZLBGEABNMP-NSHDSACASA-N -1 3 304.293 2.163 10 30 DEEEHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#CCO)cc1 ZINC000088716527 185263005 /nfs/dbraw/zinc/26/30/05/185263005.db2.gz YVGCVFWFTWUZDR-UHFFFAOYSA-N -1 3 301.367 2.140 10 30 DEEEHM O=C(NCc1sccc1C#CCCO)c1ccccc1[O-] ZINC000148624446 186045080 /nfs/dbraw/zinc/04/50/80/186045080.db2.gz RFTHOSKKPNCXBJ-UHFFFAOYSA-N -1 3 301.367 2.118 10 30 DEEEHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N)c(F)c1 ZINC000148719594 186045498 /nfs/dbraw/zinc/04/54/98/186045498.db2.gz WESAZKNVCUEUNT-UHFFFAOYSA-N -1 3 305.334 2.389 10 30 DEEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000617043063 363007933 /nfs/dbraw/zinc/00/79/33/363007933.db2.gz YZSUHBZRDIKXRV-CZUORRHYSA-N -1 3 316.401 2.373 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C#N)ccn1 ZINC000357430769 133077606 /nfs/dbraw/zinc/07/76/06/133077606.db2.gz YEXNKWFVXPTKQZ-UHFFFAOYSA-N -1 3 321.340 2.114 10 30 DEEEHM CCCC(=O)NCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076686894 401798516 /nfs/dbraw/zinc/79/85/16/401798516.db2.gz DXPLITWXMNCTDE-UHFFFAOYSA-N -1 3 305.313 2.115 10 30 DEEEHM C=CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116987944 401866722 /nfs/dbraw/zinc/86/67/22/401866722.db2.gz GHMHJXNRNZFODE-OCCSQVGLSA-N -1 3 302.374 2.078 10 30 DEEEHM N#Cc1ccccc1-c1ccc(CNC(=O)c2c[n-]nn2)cc1 ZINC000091101544 401993554 /nfs/dbraw/zinc/99/35/54/401993554.db2.gz UNKWZHXSGOUMIF-UHFFFAOYSA-N -1 3 303.325 2.273 10 30 DEEEHM N#Cc1ccccc1-c1ccc(CNC(=O)c2cnn[n-]2)cc1 ZINC000091101544 401993557 /nfs/dbraw/zinc/99/35/57/401993557.db2.gz UNKWZHXSGOUMIF-UHFFFAOYSA-N -1 3 303.325 2.273 10 30 DEEEHM N#Cc1ccccc1-c1ccc(CNC(=O)c2cn[n-]n2)cc1 ZINC000091101544 401993559 /nfs/dbraw/zinc/99/35/59/401993559.db2.gz UNKWZHXSGOUMIF-UHFFFAOYSA-N -1 3 303.325 2.273 10 30 DEEEHM N#CC1(c2ccccn2)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000374309667 404704029 /nfs/dbraw/zinc/70/40/29/404704029.db2.gz HXBQXJCLTICSKA-UHFFFAOYSA-N -1 3 307.353 2.485 10 30 DEEEHM C#CC[C@H](CC)[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000129169970 196025544 /nfs/dbraw/zinc/02/55/44/196025544.db2.gz OZJNBVNGVSZSQZ-VIFPVBQESA-N -1 3 304.774 2.142 10 30 DEEEHM C#CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(N)c1Cl ZINC000129208043 196029555 /nfs/dbraw/zinc/02/95/55/196029555.db2.gz DBEJPOYLKBFAEM-SSDOTTSWSA-N -1 3 307.202 2.266 10 30 DEEEHM Cn1cc(C#N)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000131925827 196211119 /nfs/dbraw/zinc/21/11/19/196211119.db2.gz KQAZKUUMMLBVCN-UHFFFAOYSA-N -1 3 305.681 2.106 10 30 DEEEHM C=CCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000341548768 526639248 /nfs/dbraw/zinc/63/92/48/526639248.db2.gz PUQNYEGYAMJFFM-UHFFFAOYSA-N -1 3 307.147 2.206 10 30 DEEEHM C=CCOc1cccc([N-]S(=O)(=O)Cc2cc(C)on2)c1 ZINC000340969298 526921094 /nfs/dbraw/zinc/92/10/94/526921094.db2.gz LOINSBLLIZIJCJ-UHFFFAOYSA-N -1 3 308.359 2.490 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)CC(C)(C)C(F)(F)CC ZINC000625240046 365693494 /nfs/dbraw/zinc/69/34/94/365693494.db2.gz NWMKEFAJIOHBKL-MNOVXSKESA-N -1 3 311.394 2.321 10 30 DEEEHM NCC#Cc1ccsc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000148668943 186045494 /nfs/dbraw/zinc/04/54/94/186045494.db2.gz HDXKTBIUKOUXPQ-UHFFFAOYSA-N -1 3 320.801 2.347 10 30 DEEEHM Cc1ccc(C#CCN)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000164269719 186154045 /nfs/dbraw/zinc/15/40/45/186154045.db2.gz AIQZRWBCKWWODA-UHFFFAOYSA-N -1 3 300.383 2.106 10 30 DEEEHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000329556894 539922989 /nfs/dbraw/zinc/92/29/89/539922989.db2.gz KYYXENDVVGSRGP-ZWNOBZJWSA-N -1 3 311.382 2.176 10 30 DEEEHM C[C@H](Cc1ccccc1)NC(=O)CON=Cc1ccccc1[O-] ZINC000254629668 356336756 /nfs/dbraw/zinc/33/67/56/356336756.db2.gz VQMYPSAYHUORPC-CQSZACIVSA-N -1 3 312.369 2.490 10 30 DEEEHM C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000276698665 213054024 /nfs/dbraw/zinc/05/40/24/213054024.db2.gz YUZFLXMATRXNEI-ZDUSSCGKSA-N -1 3 315.373 2.075 10 30 DEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000599360453 359477253 /nfs/dbraw/zinc/47/72/53/359477253.db2.gz NGTMLUMDYQRIPW-UHFFFAOYSA-N -1 3 317.432 2.415 10 30 DEEEHM C=CCC1(C(=O)NCc2nnc(C(=O)OCC)[n-]2)CCCCC1 ZINC000603024267 360671253 /nfs/dbraw/zinc/67/12/53/360671253.db2.gz XSHBWNBFKOPMFP-UHFFFAOYSA-N -1 3 320.393 2.124 10 30 DEEEHM C=CCSc1nnc([N-][NH+]=Cc2ccc(O)c(OC)c2)[n-]1 ZINC000006127040 181315031 /nfs/dbraw/zinc/31/50/31/181315031.db2.gz SAZNSSMFTLIZRK-RIYZIHGNSA-N -1 3 305.363 2.243 10 30 DEEEHM C=CCSc1nnc(NN=Cc2ccc(O)c(OC)c2)[n-]1 ZINC000006127040 181315032 /nfs/dbraw/zinc/31/50/32/181315032.db2.gz SAZNSSMFTLIZRK-RIYZIHGNSA-N -1 3 305.363 2.243 10 30 DEEEHM Cc1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c([O-])c1 ZINC000130283143 401825969 /nfs/dbraw/zinc/82/59/69/401825969.db2.gz AMDPRTAYEVGICW-UHFFFAOYSA-N -1 3 308.337 2.476 10 30 DEEEHM Cc1ccc([O-])c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000130625223 401835942 /nfs/dbraw/zinc/83/59/42/401835942.db2.gz YNTCUZFCGAQQJL-UHFFFAOYSA-N -1 3 308.337 2.476 10 30 DEEEHM C=C1CC(C)(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)C1 ZINC000633002368 406351007 /nfs/dbraw/zinc/35/10/07/406351007.db2.gz IOYYEKNJUBNAIY-UHFFFAOYSA-N -1 3 312.366 2.029 10 30 DEEEHM CCN1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1=O ZINC000801646640 641586617 /nfs/dbraw/zinc/58/66/17/641586617.db2.gz UUHMWIGAGBLBGO-SHLUWWQESA-N -1 3 311.179 2.194 10 30 DEEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000716886420 793019546 /nfs/dbraw/zinc/01/95/46/793019546.db2.gz DXTAUJPETUAFGB-JTQLQIEISA-N -1 3 322.213 2.310 10 30 DEEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000716877026 793019663 /nfs/dbraw/zinc/01/96/63/793019663.db2.gz CAKWVFOSLXCRDY-VIFPVBQESA-N -1 3 307.824 2.027 10 30 DEEEHM C=CC[C@H](CO)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621942743 364602429 /nfs/dbraw/zinc/60/24/29/364602429.db2.gz FJFXZASXDFWAKE-VIFPVBQESA-N -1 3 303.280 2.325 10 30 DEEEHM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1C#CCN ZINC000109436240 194262706 /nfs/dbraw/zinc/26/27/06/194262706.db2.gz BJPDWMKLHUZLDB-UHFFFAOYSA-N -1 3 306.412 2.168 10 30 DEEEHM Cc1ccc(S(=O)(=O)NN=Cc2ccccc2[O-])c(C)c1 ZINC000254824935 402671881 /nfs/dbraw/zinc/67/18/81/402671881.db2.gz UPBKWCNKRGKOTJ-UHFFFAOYSA-N -1 3 304.371 2.321 10 30 DEEEHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000295220908 403800963 /nfs/dbraw/zinc/80/09/63/403800963.db2.gz QZDLXNHQLIPEAB-UHFFFAOYSA-N -1 3 306.309 2.486 10 30 DEEEHM CC(=O)CCCCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000632416043 406128952 /nfs/dbraw/zinc/12/89/52/406128952.db2.gz KPOUPAQGGFZGPX-UHFFFAOYSA-N -1 3 300.405 2.047 10 30 DEEEHM N#Cc1cc(I)cc([O-])c1OC(F)F ZINC000575661290 406816421 /nfs/dbraw/zinc/81/64/21/406816421.db2.gz DJKBGUQIHIUAGC-UHFFFAOYSA-N -1 3 311.025 2.470 10 30 DEEEHM N#CCc1ccc(S(=O)(=O)[N-]c2c(N)cccc2F)cc1 ZINC000132322497 196245199 /nfs/dbraw/zinc/24/51/99/196245199.db2.gz RUFBSMSHYSIUOZ-UHFFFAOYSA-N -1 3 305.334 2.275 10 30 DEEEHM N#Cc1ccc(C2(C(=O)Nc3nnc(C(F)(F)F)[n-]3)CC2)cc1 ZINC000188678839 225027606 /nfs/dbraw/zinc/02/76/06/225027606.db2.gz IKUZFPPPIBBASJ-UHFFFAOYSA-N -1 3 321.262 2.365 10 30 DEEEHM N#Cc1ccc(C2(C(=O)Nc3nc(C(F)(F)F)n[n-]3)CC2)cc1 ZINC000188678839 225027611 /nfs/dbraw/zinc/02/76/11/225027611.db2.gz IKUZFPPPIBBASJ-UHFFFAOYSA-N -1 3 321.262 2.365 10 30 DEEEHM N#Cc1cc(Cl)ccc1N1CC[C@@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600879840 425047802 /nfs/dbraw/zinc/04/78/02/425047802.db2.gz KIATYJVXDTZNOH-SECBINFHSA-N -1 3 315.764 2.283 10 30 DEEEHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C#N)cc1F ZINC000408310239 301297427 /nfs/dbraw/zinc/29/74/27/301297427.db2.gz QZHSWIOSQLSQGE-CABZTGNLSA-N -1 3 300.330 2.244 10 30 DEEEHM CC(C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000548698507 341269730 /nfs/dbraw/zinc/26/97/30/341269730.db2.gz JHWRNOFYROJIGJ-UHFFFAOYSA-N -1 3 310.272 2.425 10 30 DEEEHM C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000193121197 527638935 /nfs/dbraw/zinc/63/89/35/527638935.db2.gz WQGJHNZHTQNWRZ-OAHLLOKOSA-N -1 3 314.385 2.197 10 30 DEEEHM C#CCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000393650177 685453903 /nfs/dbraw/zinc/45/39/03/685453903.db2.gz NCCMDJMDXBPGTQ-UHFFFAOYSA-N -1 3 322.611 2.404 10 30 DEEEHM N#Cc1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000720034303 1089425989 /nfs/dbraw/zinc/42/59/89/1089425989.db2.gz YXXZZLBGEABNMP-LLVKDONJSA-N -1 3 304.293 2.163 10 30 DEEEHM C[C@@H](CCNCC(=O)Nc1sccc1C#N)CCC(=O)[O-] ZINC000087676150 185230378 /nfs/dbraw/zinc/23/03/78/185230378.db2.gz QQTRUJGAAVHEBZ-SNVBAGLBSA-N -1 3 309.391 2.039 10 30 DEEEHM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1C#CCN ZINC000088716539 185263106 /nfs/dbraw/zinc/26/31/06/185263106.db2.gz JDSJSYVJUOBANE-UHFFFAOYSA-N -1 3 300.383 2.106 10 30 DEEEHM C=C(C)CN1CCC(NC(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000106290620 194194286 /nfs/dbraw/zinc/19/42/86/194194286.db2.gz KRTQSTFRLKTEAV-UHFFFAOYSA-N -1 3 310.344 2.441 10 30 DEEEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000336891807 403949780 /nfs/dbraw/zinc/94/97/80/403949780.db2.gz JABZQDIWEMCURD-LBPRGKRZSA-N -1 3 314.794 2.057 10 30 DEEEHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CC(C)(C)C#N)c2=O ZINC000452144817 405194400 /nfs/dbraw/zinc/19/44/00/405194400.db2.gz HTRVIWSJEUAXQJ-UHFFFAOYSA-N -1 3 313.357 2.158 10 30 DEEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000425176707 405253827 /nfs/dbraw/zinc/25/38/27/405253827.db2.gz BCULNHGTPOZZLC-CABZTGNLSA-N -1 3 319.785 2.349 10 30 DEEEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000131022033 196132847 /nfs/dbraw/zinc/13/28/47/196132847.db2.gz MAJMVCBYYUHGRV-UHFFFAOYSA-N -1 3 310.313 2.004 10 30 DEEEHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(N)cccc1F ZINC000132326807 196246645 /nfs/dbraw/zinc/24/66/45/196246645.db2.gz RCCGJRQIDXNRLM-UHFFFAOYSA-N -1 3 305.334 2.389 10 30 DEEEHM CC(C)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c([O-])c1 ZINC000732679324 647641455 /nfs/dbraw/zinc/64/14/55/647641455.db2.gz YABLLZAQCGMQQC-OAHLLOKOSA-N -1 3 313.401 2.328 10 30 DEEEHM C#CCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000733287819 649537339 /nfs/dbraw/zinc/53/73/39/649537339.db2.gz UNHCDJXVIXLOIR-UHFFFAOYSA-N -1 3 319.158 2.044 10 30 DEEEHM C#CCN(CC(=O)[O-])[C@H]1CCc2cc(Br)ccc2C1 ZINC000092491258 185322062 /nfs/dbraw/zinc/32/20/62/185322062.db2.gz JRGFHIAAZAFIOY-AWEZNQCLSA-N -1 3 322.202 2.326 10 30 DEEEHM C=CCSc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000005899243 181294141 /nfs/dbraw/zinc/29/41/41/181294141.db2.gz RXHZCJRRKCTWTE-MDWZMJQESA-N -1 3 304.335 2.437 10 30 DEEEHM C=CCSc1nnc([N-][NH+]=Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000005899243 181294142 /nfs/dbraw/zinc/29/41/42/181294142.db2.gz RXHZCJRRKCTWTE-MDWZMJQESA-N -1 3 304.335 2.437 10 30 DEEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594851168 358348715 /nfs/dbraw/zinc/34/87/15/358348715.db2.gz YXNIAKNVITYJTQ-UHFFFAOYSA-N -1 3 314.794 2.083 10 30 DEEEHM C=CC[C@H]1CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000627732707 366603464 /nfs/dbraw/zinc/60/34/64/366603464.db2.gz AVZIAEFYBFSMNA-AWEZNQCLSA-N -1 3 324.384 2.235 10 30 DEEEHM C=CC(C)(C)CCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000628318047 366807444 /nfs/dbraw/zinc/80/74/44/366807444.db2.gz MJBPVIMETJYWAH-UHFFFAOYSA-N -1 3 310.419 2.390 10 30 DEEEHM C=CC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000160259880 197396132 /nfs/dbraw/zinc/39/61/32/197396132.db2.gz PDAGHSQKXRDFHE-SECBINFHSA-N -1 3 302.252 2.246 10 30 DEEEHM CC(C#N)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl ZINC000043517997 183369688 /nfs/dbraw/zinc/36/96/88/183369688.db2.gz LVMUZKFZGPDCTJ-RXMQYKEDSA-N -1 3 308.142 2.377 10 30 DEEEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000329502614 296355282 /nfs/dbraw/zinc/35/52/82/296355282.db2.gz YWVBRQWRWSONKP-LLVKDONJSA-N -1 3 321.308 2.388 10 30 DEEEHM CCc1nc(C[N-]S(=O)(=O)c2ccccc2C#N)cs1 ZINC000157356385 197182188 /nfs/dbraw/zinc/18/21/88/197182188.db2.gz FDFIQMFYEWIWCG-UHFFFAOYSA-N -1 3 307.400 2.056 10 30 DEEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCO1 ZINC000156392772 197109760 /nfs/dbraw/zinc/10/97/60/197109760.db2.gz SUECFGAWJSSPOK-BXKDBHETSA-N -1 3 314.794 2.057 10 30 DEEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)n1 ZINC000177766711 402434261 /nfs/dbraw/zinc/43/42/61/402434261.db2.gz MLYQWUCPFRXSQL-UHFFFAOYSA-N -1 3 319.324 2.197 10 30 DEEEHM C=CCc1cccc(C=NNS(=O)(=O)c2ccccc2)c1[O-] ZINC000254342254 402670613 /nfs/dbraw/zinc/67/06/13/402670613.db2.gz IRUDWQHSQKMGGR-UHFFFAOYSA-N -1 3 316.382 2.433 10 30 DEEEHM Cn1c2cc([O-])c(NC(=O)[C@@H]3CCCSC3)cc2n(C)c1=O ZINC000329679787 404420044 /nfs/dbraw/zinc/42/00/44/404420044.db2.gz WDDRFFCTUIPNGX-SECBINFHSA-N -1 3 321.402 2.314 10 30 DEEEHM N#Cc1cccc([C@H]2CN(C(=O)c3cccc([O-])c3)CCO2)c1 ZINC000367867641 405179582 /nfs/dbraw/zinc/17/95/82/405179582.db2.gz CREQJNPSLJKPPC-QGZVFWFLSA-N -1 3 308.337 2.478 10 30 DEEEHM C=C(C)C(C)(C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000424822639 405188859 /nfs/dbraw/zinc/18/88/59/405188859.db2.gz BYEDQOXMUGBAKO-UHFFFAOYSA-N -1 3 303.362 2.123 10 30 DEEEHM CCCCS(=O)(=O)[N-]c1ccc(Cl)cc1C#CCO ZINC000131957448 196213716 /nfs/dbraw/zinc/21/37/16/196213716.db2.gz QAAZPMBXTCKHCN-UHFFFAOYSA-N -1 3 301.795 2.226 10 30 DEEEHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000408340644 227232646 /nfs/dbraw/zinc/23/26/46/227232646.db2.gz OWYMGQLSJXDXRF-HQJQHLMTSA-N -1 3 304.293 2.074 10 30 DEEEHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000408336501 227232887 /nfs/dbraw/zinc/23/28/87/227232887.db2.gz AVVHVWLEVOAUIS-GZMMTYOYSA-N -1 3 302.758 2.450 10 30 DEEEHM CN(C)c1ccc(C=Nn2cc([O-])c(-c3ccccc3)c2N)cc1 ZINC000027232650 517913872 /nfs/dbraw/zinc/91/38/72/517913872.db2.gz PLGOSIURYNJBDI-CIAFOILYSA-N -1 3 320.396 2.299 10 30 DEEEHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000285286299 527173499 /nfs/dbraw/zinc/17/34/99/527173499.db2.gz JVEDBUAZUVWZNA-CQSZACIVSA-N -1 3 320.439 2.364 10 30 DEEEHM Cc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000102122919 649936518 /nfs/dbraw/zinc/93/65/18/649936518.db2.gz LLUUAVMJPCFYCC-CYBMUJFWSA-N -1 3 324.296 2.259 10 30 DEEEHM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000614860264 362477136 /nfs/dbraw/zinc/47/71/36/362477136.db2.gz GBLGMHQSEJQESN-AWEZNQCLSA-N -1 3 304.346 2.004 10 30 DEEEHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673925 192310920 /nfs/dbraw/zinc/31/09/20/192310920.db2.gz CGOUROCZQTWFJR-GMSGAONNSA-N -1 3 320.201 2.359 10 30 DEEEHM C=CCCS(=O)(=O)[N-][C@H](C(=O)OCC)C1CCCCCC1 ZINC000594482808 358281239 /nfs/dbraw/zinc/28/12/39/358281239.db2.gz ZELCKYJVCIEQRT-AWEZNQCLSA-N -1 3 317.451 2.384 10 30 DEEEHM C=CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000594868336 358351354 /nfs/dbraw/zinc/35/13/54/358351354.db2.gz DPRCOXQYSTXMAI-UHFFFAOYSA-N -1 3 311.363 2.157 10 30 DEEEHM COc1cccc(C(=O)N2CCC(C#N)(SC)CC2)c1[O-] ZINC000091477291 193062686 /nfs/dbraw/zinc/06/26/86/193062686.db2.gz CPBCNGUIUXFNBX-UHFFFAOYSA-N -1 3 306.387 2.262 10 30 DEEEHM N#CCc1ccc(S(=O)(=O)[N-]c2ccccc2CN)cc1 ZINC000092132171 193166902 /nfs/dbraw/zinc/16/69/02/193166902.db2.gz FLDXNPKZZXQRLK-UHFFFAOYSA-N -1 3 301.371 2.012 10 30 DEEEHM Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2[O-])cc1C ZINC000020394993 182214131 /nfs/dbraw/zinc/21/41/31/182214131.db2.gz SQHPVXUIUSIASD-MHWRWJLKSA-N -1 3 304.371 2.321 10 30 DEEEHM CC(C#N)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl ZINC000043517994 183369474 /nfs/dbraw/zinc/36/94/74/183369474.db2.gz LVMUZKFZGPDCTJ-YFKPBYRVSA-N -1 3 308.142 2.377 10 30 DEEEHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nccn2C)[n-]n1)OCC ZINC000270097344 208155201 /nfs/dbraw/zinc/15/52/01/208155201.db2.gz IFNRUSLJRDEZSZ-GFCCVEGCSA-N -1 3 303.366 2.120 10 30 DEEEHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nccn2C)n[n-]1)OCC ZINC000270097344 208155206 /nfs/dbraw/zinc/15/52/06/208155206.db2.gz IFNRUSLJRDEZSZ-GFCCVEGCSA-N -1 3 303.366 2.120 10 30 DEEEHM C[C@H]1CC(C[N-]S(=O)(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000355510527 133030465 /nfs/dbraw/zinc/03/04/65/133030465.db2.gz KEUINEAUYZYWOO-UWVGGRQHSA-N -1 3 314.432 2.102 10 30 DEEEHM CC[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nccs1 ZINC000078004528 401838141 /nfs/dbraw/zinc/83/81/41/401838141.db2.gz SNFYFOVPNZOHHD-LBPRGKRZSA-N -1 3 307.400 2.444 10 30 DEEEHM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000078239723 401844127 /nfs/dbraw/zinc/84/41/27/401844127.db2.gz MWNBRDHQRSPMTR-LBPRGKRZSA-N -1 3 323.418 2.346 10 30 DEEEHM C=CC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116987946 401866521 /nfs/dbraw/zinc/86/65/21/401866521.db2.gz GHMHJXNRNZFODE-GXTWGEPZSA-N -1 3 302.374 2.078 10 30 DEEEHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2ncncc2Cl)n1 ZINC000178303678 402482790 /nfs/dbraw/zinc/48/27/90/402482790.db2.gz XLJWSOIFBZHKSZ-UHFFFAOYSA-N -1 3 304.741 2.205 10 30 DEEEHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000452022326 405128581 /nfs/dbraw/zinc/12/85/81/405128581.db2.gz KXEYFVHPBMDKAE-JTQLQIEISA-N -1 3 321.801 2.393 10 30 DEEEHM C=CCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436850171 405152500 /nfs/dbraw/zinc/15/25/00/405152500.db2.gz ZBYRIOVKQMXKJZ-CQSZACIVSA-N -1 3 302.374 2.031 10 30 DEEEHM C=CCOc1ccccc1CNC(=O)NCc1ncccc1[O-] ZINC000471869445 406126205 /nfs/dbraw/zinc/12/62/05/406126205.db2.gz JZYNEYUYPVXQCB-UHFFFAOYSA-N -1 3 313.357 2.351 10 30 DEEEHM C=CCCCS(=O)(=O)[N-][C@H](c1ccccc1F)[C@@H](C)O ZINC000519823000 335898155 /nfs/dbraw/zinc/89/81/55/335898155.db2.gz JCFYSIZPIXNYEW-RISCZKNCSA-N -1 3 301.383 2.133 10 30 DEEEHM C=C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000369109146 526898313 /nfs/dbraw/zinc/89/83/13/526898313.db2.gz RAHLOAVIQCAMPU-OAHLLOKOSA-N -1 3 314.385 2.175 10 30 DEEEHM C=CCCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000447930141 527234780 /nfs/dbraw/zinc/23/47/80/527234780.db2.gz KWCUTZHNINYIGM-UHFFFAOYSA-N -1 3 317.794 2.371 10 30 DEEEHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCN1C1CCOCC1 ZINC000747863414 638485381 /nfs/dbraw/zinc/48/53/81/638485381.db2.gz BKYCPSIWENIFJD-KPYNCUPYSA-N -1 3 322.792 2.244 10 30 DEEEHM O=C1[C@H](/N=C/c2cc(Cl)ccc2[O-])CCN1C1CCOCC1 ZINC000747863416 638485515 /nfs/dbraw/zinc/48/55/15/638485515.db2.gz BKYCPSIWENIFJD-YFEUJDIGSA-N -1 3 322.792 2.244 10 30 DEEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000805147056 639840449 /nfs/dbraw/zinc/84/04/49/639840449.db2.gz QPRORIFYLKVQHY-NSHDSACASA-N -1 3 305.321 2.430 10 30 DEEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000805147320 639841825 /nfs/dbraw/zinc/84/18/25/639841825.db2.gz IVXDJMMQUGMBPW-LBPRGKRZSA-N -1 3 314.338 2.060 10 30 DEEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625326168 365729304 /nfs/dbraw/zinc/72/93/04/365729304.db2.gz NZHBWRYAEXDBHH-UHFFFAOYSA-N -1 3 320.418 2.148 10 30 DEEEHM CN1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccccc1 ZINC000188735852 529795987 /nfs/dbraw/zinc/79/59/87/529795987.db2.gz NLERYCPQCDFHEB-AEFFLSMTSA-N -1 3 321.380 2.439 10 30 DEEEHM Cn1nnc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc21 ZINC000183451720 356173248 /nfs/dbraw/zinc/17/32/48/356173248.db2.gz LOPUBQLOYQYNGL-NSHDSACASA-N -1 3 316.324 2.335 10 30 DEEEHM C=CC[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000628484229 366864136 /nfs/dbraw/zinc/86/41/36/366864136.db2.gz HOOWTYHCOIRNDF-GFCCVEGCSA-N -1 3 308.403 2.096 10 30 DEEEHM C=CC[C@H]1CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000628489835 366865229 /nfs/dbraw/zinc/86/52/29/366865229.db2.gz IVIYRSGLKKNYLZ-AWEZNQCLSA-N -1 3 316.401 2.245 10 30 DEEEHM N#Cc1ccnc([N-]C(=O)c2cnc(-c3ncccn3)s2)c1 ZINC000357406605 133075914 /nfs/dbraw/zinc/07/59/14/133075914.db2.gz FKZHOMRHKDJOAI-UHFFFAOYSA-N -1 3 308.326 2.119 10 30 DEEEHM C=CCCCN(C)C(=O)C(=O)[N-]c1sccc1C(=O)OCC ZINC000076312488 401790231 /nfs/dbraw/zinc/79/02/31/401790231.db2.gz LTUZUQRKHBUBAJ-UHFFFAOYSA-N -1 3 324.402 2.288 10 30 DEEEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(CC#N)c2)n[n-]1 ZINC000179050914 402568083 /nfs/dbraw/zinc/56/80/83/402568083.db2.gz XGCUDYNDRCWLNZ-UHFFFAOYSA-N -1 3 306.329 2.129 10 30 DEEEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(CC#N)c2)[n-]n1 ZINC000179050914 402568086 /nfs/dbraw/zinc/56/80/86/402568086.db2.gz XGCUDYNDRCWLNZ-UHFFFAOYSA-N -1 3 306.329 2.129 10 30 DEEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2)n1 ZINC000180971215 402631668 /nfs/dbraw/zinc/63/16/68/402631668.db2.gz JDYPDDCWCNJJBW-UHFFFAOYSA-N -1 3 319.324 2.197 10 30 DEEEHM COC(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)o2)c1[O-] ZINC000436874337 405155506 /nfs/dbraw/zinc/15/55/06/405155506.db2.gz SYDRLUSIYPHNNX-UHFFFAOYSA-N -1 3 300.270 2.204 10 30 DEEEHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000416634463 405203521 /nfs/dbraw/zinc/20/35/21/405203521.db2.gz NYKGQJKTZKVWOA-HNNXBMFYSA-N -1 3 319.430 2.369 10 30 DEEEHM C#CC[C@@H](CC)[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000129170170 196025643 /nfs/dbraw/zinc/02/56/43/196025643.db2.gz OZJNBVNGVSZSQZ-SECBINFHSA-N -1 3 304.774 2.142 10 30 DEEEHM C=CC[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528286270 337799758 /nfs/dbraw/zinc/79/97/58/337799758.db2.gz LBXPZVZZEWFVHG-UHFFFAOYSA-N -1 3 311.281 2.058 10 30 DEEEHM CCCn1c(=O)[n-]nc1SCCOc1ccc(C#N)cc1 ZINC000022153781 535579755 /nfs/dbraw/zinc/57/97/55/535579755.db2.gz JBKRVCKEMBAWQK-UHFFFAOYSA-N -1 3 304.375 2.024 10 30 DEEEHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCN1C1CCOCC1 ZINC000747863412 638485427 /nfs/dbraw/zinc/48/54/27/638485427.db2.gz BKYCPSIWENIFJD-FNHQQPGVSA-N -1 3 322.792 2.244 10 30 DEEEHM CC(=O)C=Cc1c(=O)[n-]cnc1Oc1ccc(NC(C)=O)cc1 ZINC000072175305 191070914 /nfs/dbraw/zinc/07/09/14/191070914.db2.gz TXMMCYPOGAHHQH-FPYGCLRLSA-N -1 3 313.313 2.123 10 30 DEEEHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccncc1 ZINC000619548755 363822676 /nfs/dbraw/zinc/82/26/76/363822676.db2.gz QKIMZIBKNDVQCQ-JTQLQIEISA-N -1 3 307.400 2.097 10 30 DEEEHM CCOC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)c([O-])c1 ZINC000176159206 402285085 /nfs/dbraw/zinc/28/50/85/402285085.db2.gz JNFUWJKBPGCXDN-UHFFFAOYSA-N -1 3 313.313 2.031 10 30 DEEEHM C=C(C)C[C@@H](C)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000185410035 402350454 /nfs/dbraw/zinc/35/04/54/402350454.db2.gz CNIJRIMCDIJHJQ-PIGZYNQJSA-N -1 3 315.373 2.282 10 30 DEEEHM C=C[C@](C)(CC)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291486867 404398984 /nfs/dbraw/zinc/39/89/84/404398984.db2.gz GMAFCLMOZCVMOF-MRXNPFEDSA-N -1 3 303.362 2.123 10 30 DEEEHM N#Cc1cccc([C@@H]2CN(C(=O)c3cccc([O-])c3)CCO2)c1 ZINC000367867638 405179358 /nfs/dbraw/zinc/17/93/58/405179358.db2.gz CREQJNPSLJKPPC-KRWDZBQOSA-N -1 3 308.337 2.478 10 30 DEEEHM C=CCCO[C@H](C)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636319746 405886882 /nfs/dbraw/zinc/88/68/82/405886882.db2.gz XVIWGQJDLKGVSZ-LLVKDONJSA-N -1 3 305.378 2.047 10 30 DEEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000175194048 424863306 /nfs/dbraw/zinc/86/33/06/424863306.db2.gz SYPDXOSGZQQDCP-NWDGAFQWSA-N -1 3 315.417 2.443 10 30 DEEEHM C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000545929725 341146911 /nfs/dbraw/zinc/14/69/11/341146911.db2.gz PYJHLVPZVIEXIE-PIGZYNQJSA-N -1 3 315.373 2.282 10 30 DEEEHM C=CCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000368413489 527165873 /nfs/dbraw/zinc/16/58/73/527165873.db2.gz WITRJLXGCYLDGL-OAHLLOKOSA-N -1 3 316.401 2.469 10 30 DEEEHM Cc1ccc(-c2cc(C(=O)OCC3(C#N)CCOCC3)n[n-]2)o1 ZINC000183944435 649204706 /nfs/dbraw/zinc/20/47/06/649204706.db2.gz WBJBWKGUOFDLBZ-UHFFFAOYSA-N -1 3 315.329 2.455 10 30 DEEEHM Cc1ccc(-c2cc(C(=O)OCC3(C#N)CCOCC3)[n-]n2)o1 ZINC000183944435 649204709 /nfs/dbraw/zinc/20/47/09/649204709.db2.gz WBJBWKGUOFDLBZ-UHFFFAOYSA-N -1 3 315.329 2.455 10 30 DEEEHM CCN([O-])C(=O)c1cnc(Br)c(Br)c1 ZINC000306561800 356404831 /nfs/dbraw/zinc/40/48/31/356404831.db2.gz BZZWDCAPNHBDJO-UHFFFAOYSA-N -1 3 323.972 2.458 10 30 DEEEHM CN(C)c1ccc(C(=O)Nc2ccc(CC(=O)N[O-])cc2)cc1 ZINC000013801968 401804670 /nfs/dbraw/zinc/80/46/70/401804670.db2.gz UKAVCWPRHZTDQF-UHFFFAOYSA-N -1 3 313.357 2.053 10 30 DEEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000230338614 402350880 /nfs/dbraw/zinc/35/08/80/402350880.db2.gz YQCPLEXHPPQZCQ-CHWSQXEVSA-N -1 3 304.396 2.454 10 30 DEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000186667981 402453512 /nfs/dbraw/zinc/45/35/12/402453512.db2.gz GCMJHKMGSPTRMK-QMMMGPOBSA-N -1 3 310.202 2.209 10 30 DEEEHM C=C(C)CS(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)OCC ZINC000357435373 404734650 /nfs/dbraw/zinc/73/46/50/404734650.db2.gz LRZGZEPSIDKILX-GFCCVEGCSA-N -1 3 305.440 2.240 10 30 DEEEHM C=CC(C)(C)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452779471 405241822 /nfs/dbraw/zinc/24/18/22/405241822.db2.gz UBRALXZGQSVLLM-CQSZACIVSA-N -1 3 316.401 2.325 10 30 DEEEHM C#CC[C@@H](CC)[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000129165708 196025453 /nfs/dbraw/zinc/02/54/53/196025453.db2.gz QUGYCBOZOXVNRT-MRVPVSSYSA-N -1 3 304.774 2.142 10 30 DEEEHM N#Cc1cc(Br)ccc1[N-]C(=O)c1csnn1 ZINC000132520350 196262063 /nfs/dbraw/zinc/26/20/63/196262063.db2.gz OTINNYCFMJODEX-UHFFFAOYSA-N -1 3 309.148 2.425 10 30 DEEEHM N#Cc1ccc(Cl)cc1N1CC[C@@H](c2cc(=O)[n-]c(N)n2)C1 ZINC000600879962 425047339 /nfs/dbraw/zinc/04/73/39/425047339.db2.gz LTBNZUPMALNKCG-SNVBAGLBSA-N -1 3 315.764 2.283 10 30 DEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000186650157 332940813 /nfs/dbraw/zinc/94/08/13/332940813.db2.gz ILWHLDNDXUOZRL-VIFPVBQESA-N -1 3 307.774 2.003 10 30 DEEEHM COc1cc(C#N)ccc1[N-]S(=O)(=O)N1CCCCCC1 ZINC000127027013 500838175 /nfs/dbraw/zinc/83/81/75/500838175.db2.gz JMHYPDGSYGGMEN-UHFFFAOYSA-N -1 3 309.391 2.100 10 30 DEEEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(F)cc2C#N)n1 ZINC000191659657 529154430 /nfs/dbraw/zinc/15/44/30/529154430.db2.gz DVVHUJTVLNLTNT-UHFFFAOYSA-N -1 3 303.253 2.074 10 30 DEEEHM CCN1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1=O ZINC000801646641 641586748 /nfs/dbraw/zinc/58/67/48/641586748.db2.gz UUHMWIGAGBLBGO-UXYFDLPDSA-N -1 3 311.179 2.194 10 30 DEEEHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)c1ncc[nH]1 ZINC000141341245 186030140 /nfs/dbraw/zinc/03/01/40/186030140.db2.gz WWUFJMDCQDHNPG-LLVKDONJSA-N -1 3 324.793 2.364 10 30 DEEEHM C=C(C)C[C@@H](NC(=O)c1cc(SC)ccc1[O-])C(=O)OC ZINC000601786511 360149824 /nfs/dbraw/zinc/14/98/24/360149824.db2.gz XYZLJQOIDHTIKF-GFCCVEGCSA-N -1 3 309.387 2.352 10 30 DEEEHM C=CCOCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000628087982 366716296 /nfs/dbraw/zinc/71/62/96/366716296.db2.gz POQWPZFOWWIWJS-UHFFFAOYSA-N -1 3 314.179 2.477 10 30 DEEEHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(N)ccc1Br ZINC000159285144 197341888 /nfs/dbraw/zinc/34/18/88/197341888.db2.gz RIOISLJDVUMSJE-MRVPVSSYSA-N -1 3 318.196 2.075 10 30 DEEEHM Cn1ccnc1-c1cc(NC(=O)CCc2ccc(C#N)cc2)n[n-]1 ZINC000119330711 401941458 /nfs/dbraw/zinc/94/14/58/401941458.db2.gz ROABGBLPLDOKEU-UHFFFAOYSA-N -1 3 320.356 2.253 10 30 DEEEHM Cn1ccnc1-c1cc(NC(=O)CCc2ccc(C#N)cc2)[n-]n1 ZINC000119330711 401941460 /nfs/dbraw/zinc/94/14/60/401941460.db2.gz ROABGBLPLDOKEU-UHFFFAOYSA-N -1 3 320.356 2.253 10 30 DEEEHM C=CC[C@H](CO)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000302131831 403707547 /nfs/dbraw/zinc/70/75/47/403707547.db2.gz KOMXHSCWTNRIFG-CYBMUJFWSA-N -1 3 300.362 2.156 10 30 DEEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632302083 406085468 /nfs/dbraw/zinc/08/54/68/406085468.db2.gz XFOUJOYGWHYHPF-QMMMGPOBSA-N -1 3 311.329 2.072 10 30 DEEEHM C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])C1 ZINC000633062273 406369794 /nfs/dbraw/zinc/36/97/94/406369794.db2.gz UJSXTPAXGUNPPE-RYUDHWBXSA-N -1 3 317.389 2.223 10 30 DEEEHM C#CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000129210412 196029292 /nfs/dbraw/zinc/02/92/92/196029292.db2.gz DQBIUFRNLXXZTC-SSDOTTSWSA-N -1 3 307.202 2.266 10 30 DEEEHM CC(C)CS(=O)(=O)[N-]c1ccc(Cl)cc1C#CCO ZINC000131960455 196214602 /nfs/dbraw/zinc/21/46/02/196214602.db2.gz WRBAZTVNLXGLQV-UHFFFAOYSA-N -1 3 301.795 2.082 10 30 DEEEHM C#CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(CNCC(C)C)o1 ZINC000133224033 196322293 /nfs/dbraw/zinc/32/22/93/196322293.db2.gz SJGPSCLOOZAGCR-CYBMUJFWSA-N -1 3 312.435 2.105 10 30 DEEEHM CN(C)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188234198 225015271 /nfs/dbraw/zinc/01/52/71/225015271.db2.gz DINJCDCLGGHWHT-MRXNPFEDSA-N -1 3 309.369 2.297 10 30 DEEEHM O=C(c1cccc([O-])c1)N1CCN(CC#Cc2ccccc2)CC1 ZINC000192108785 225125515 /nfs/dbraw/zinc/12/55/15/225125515.db2.gz USLNHXBCNHCDHD-UHFFFAOYSA-N -1 3 320.392 2.202 10 30 DEEEHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000408340665 227232076 /nfs/dbraw/zinc/23/20/76/227232076.db2.gz OYURJYQXTSBLPA-WCBMZHEXSA-N -1 3 302.758 2.450 10 30 DEEEHM C#C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000390433101 685439870 /nfs/dbraw/zinc/43/98/70/685439870.db2.gz FXCPBZAUAFZBTE-ZETCQYMHSA-N -1 3 322.611 2.403 10 30 DEEEHM C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825481 362471437 /nfs/dbraw/zinc/47/14/37/362471437.db2.gz HYVGWYRNDGYSOH-YNEHKIRRSA-N -1 3 319.405 2.469 10 30 DEEEHM COc1ccc([O-])c(C(=O)N2CCC(C#N)(SC)CC2)c1 ZINC000091473950 193061356 /nfs/dbraw/zinc/06/13/56/193061356.db2.gz VHPIWXPGUIMMLI-UHFFFAOYSA-N -1 3 306.387 2.262 10 30 DEEEHM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1N ZINC000092130586 193166085 /nfs/dbraw/zinc/16/60/85/193166085.db2.gz UYVGDZBLVZJVTO-UHFFFAOYSA-N -1 3 301.371 2.444 10 30 DEEEHM Cc1cc(N)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092130543 193166202 /nfs/dbraw/zinc/16/62/02/193166202.db2.gz AURJJDUQCLNNQH-UHFFFAOYSA-N -1 3 301.371 2.444 10 30 DEEEHM N#Cc1ccccc1CS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000040215911 183046355 /nfs/dbraw/zinc/04/63/55/183046355.db2.gz AIAGXPSLWKJYOU-UHFFFAOYSA-N -1 3 303.387 2.204 10 30 DEEEHM N#CC1([N-]S(=O)(=O)C[C@@H]2CCCO2)CCCCCCC1 ZINC000063155887 184274782 /nfs/dbraw/zinc/27/47/82/184274782.db2.gz JACJSVNPBRZYKB-ZDUSSCGKSA-N -1 3 300.424 2.091 10 30 DEEEHM O=C(N[O-])[C@H]1CC(c2ccc(OCc3ccccc3)cc2)=NO1 ZINC000103254168 402182691 /nfs/dbraw/zinc/18/26/91/402182691.db2.gz NXVZYEJQVDIBNN-MRXNPFEDSA-N -1 3 312.325 2.264 10 30 DEEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000281593909 403072833 /nfs/dbraw/zinc/07/28/33/403072833.db2.gz JPIPFEDUZCFACS-VIFPVBQESA-N -1 3 310.202 2.209 10 30 DEEEHM C=CCC1([N-]S(=O)(=O)c2c[nH]c(=O)s2)CCCCC1 ZINC000632417120 406129177 /nfs/dbraw/zinc/12/91/77/406129177.db2.gz NWQDUINCXPVLRY-UHFFFAOYSA-N -1 3 302.421 2.406 10 30 DEEEHM CCCS(=O)(=O)[N-]c1ccc(Cl)cc1C#CCCO ZINC000131936343 196211737 /nfs/dbraw/zinc/21/17/37/196211737.db2.gz UWAKZCMAWHCQNT-UHFFFAOYSA-N -1 3 301.795 2.226 10 30 DEEEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188346535 225016557 /nfs/dbraw/zinc/01/65/57/225016557.db2.gz QLOBZFIBSVKKDM-QGZVFWFLSA-N -1 3 323.396 2.167 10 30 DEEEHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000408340664 227232343 /nfs/dbraw/zinc/23/23/43/227232343.db2.gz OYURJYQXTSBLPA-SCZZXKLOSA-N -1 3 302.758 2.450 10 30 DEEEHM